SCHEMBL21885660

SCHEMBL21885660

O=[N+]([O-])c1cc(S(F)(F)(F)(F)F)ccc1O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR35 Q9HC97 3/20 0.56
MAPK1 P28482 2/20 0.56
TP53 P04637 2/20 0.56
HPGD P15428 2/20 0.56
TSHR P16473 2/20 0.56
SMN1; SMN2 Q16637 2/20 0.56
ALDH1A1 P00352 1/20 0.56
L3MBTL1 Q9Y468 2/20 0.55
ALOX15 P16050 1/20 0.55
HSD17B10 Q99714 1/20 0.55
ALDH5A1 P51649 1/20 0.51
ABAT P80404 1/20 0.51
CA12 O43570 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 4/20 0.50
KDM4E B2RXH2 2/20 0.50
USP2 O75604 1/20 0.50
LMNA P02545 1/20 0.50

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL21885659 0.85 GPR35 (0.56) GPR35MAPK1TP53HPGDTSHR
SCHEMBL29379293 0.79 TSHR (0.56) MAPK1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL9998849 0.79 TSHR (0.56) MAPK1TSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL8031393 0.78 ALDH1A1 (0.46) MAPK1HPGDALDH1A1MAPTKDM4E
SCHEMBL8041974 0.78 MAPT (0.58) GPR35TSHRALDH1A1L3MBTL1ALOX15
SCHEMBL18607548 0.78 VCAM1 (0.51) MAPK1TSHRMAPT
SCHEMBL8031398 0.77 DTYMK (0.45) TSHRALDH1A1ALOX15MAPTKDM4E
SCHEMBL229093 0.75 MAPK1 (0.62) GPR35MAPK1TP53HPGDTSHR
SCHEMBL18956859 0.74 MAPT (0.51) HPGDTSHRSMN1; SMN2ALDH1A1HSD17B10
SCHEMBL30072759 0.74 MAPT (0.51) HPGDTSHRSMN1; SMN2ALDH1A1HSD17B10

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 20 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3601235-B1 BICYCLIC HETEROARYL DERIVATIVES, PREPARATION AND THERAPEUTIC USES THEREOF XWPHARMA LTD (KY) 2026-03-04 EP disclosed
US-12398097-B2 WDR5-MYC inhibitors VANDERBILT UNIVERSITY (US) 2025-08-26 US disclosed
US-11905247-B2 Compounds as neurokinin-1 receptor antagonists and uses thereof XWPharma Ltd. (KY) 2024-02-20 US disclosed
CN-111770914-B Compounds as neurokinin-1 receptor antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2023-06-20 CN disclosed
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XWPharma Ltd. (KY) 2023-05-02 US disclosed
US-20220298127-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF XWPharma Ltd. (KY) 2022-09-22 US disclosed
US-20220289673-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY 2022-09-15 US disclosed
CN-115025086-A Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2022-09-09 CN disclosed
US-11401249-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XWPharma Ltd. (KY) 2022-08-02 US disclosed
CN-110709386-B Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2022-06-07 CN disclosed
US-20220002246-A1 COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2022-01-06 US disclosed
US-11149006-B2 Compounds as neurokinin-1 receptor antagonists and uses thereof XWPharma Ltd. (KY) 2021-10-19 US disclosed
US-20210094925-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF XWPharma Ltd. (KY) 2021-04-01 US disclosed
WO-2021021951-A1 WDR5-MYC INHIBITORS VANDERBILT UNIVERSITY (US) 2021-02-04 WO disclosed
US-10882832-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2021-01-05 US disclosed
CN-111770914-A Compounds as neurokinin-1 receptor antagonists and uses thereof 凯瑞康宁生物工程(武汉)有限公司 2020-10-13 CN disclosed
US-20200239416-A1 COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF XWPharma Ltd. (KY) 2020-07-30 US disclosed
US-20200181102-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF XWPharma Ltd. (KY) 2020-06-11 US disclosed
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof XW LABORATORIES INC. (KY) 2020-05-05 US disclosed
CN-110709386-A Bicyclic heteroaryl derivatives, their preparation and use 凯瑞康宁生物工程(武汉)有限公司 2020-01-17 CN disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (13 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-11905247-B2 Compounds as neurokinin-1 receptor antagonists and uses thereof TACR1, KISS1R, TACR2 GPR35 164/4885MAPK1 674/4885TP53 3315/4885
US-20220289673-A1 WDR5-MYC INHIBITORS MYC, WDR5, MYCBP GPR35 2548/4885MAPK1 1530/4885TP53 142/4885
US-20220298127-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A GPR35 133/4885MAPK1 2264/4885TP53 3688/4885
US-20220002246-A1 COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF TACR1, KISS1R, TACR2 GPR35 164/4885MAPK1 674/4885TP53 3315/4885
US-10882832-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A GPR35 133/4885MAPK1 2264/4885TP53 3688/4885
US-11401249-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A GPR35 133/4885MAPK1 2264/4885TP53 3688/4885
US-20200181102-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A GPR35 133/4885MAPK1 2264/4885TP53 3688/4885
US-10640476-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A GPR35 133/4885MAPK1 2264/4885TP53 3688/4885
US-11639337-B2 Bicyclic heteroaryl derivatives and preparation and uses thereof GRIN2A, GRIN2C, GRIN3A GPR35 133/4885MAPK1 2264/4885TP53 3688/4885
US-20200239416-A1 COMPOUNDS AS NEUROKININ-1 RECEPTOR ANTAGONISTS AND USES THEREOF TACR1, KISS1R, TACR2 GPR35 164/4885MAPK1 674/4885TP53 3315/4885
US-12398097-B2 WDR5-MYC inhibitors MYC, WDR5, MYCBP GPR35 2548/4885MAPK1 1530/4885TP53 142/4885
US-11149006-B2 Compounds as neurokinin-1 receptor antagonists and uses thereof TACR1, KISS1R, TACR2 GPR35 164/4885MAPK1 674/4885TP53 3315/4885
US-20210094925-A1 BICYCLIC HETEROARYL DERIVATIVES AND PREPARATION AND USES THEREOF GRIN2A, GRIN2C, GRIN3A GPR35 133/4885MAPK1 2264/4885TP53 3688/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.