SCHEMBL1855017

SCHEMBL1855017

O=S(=O)(c1[c]cccc1)N1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.51
POLB P06746 2/20 0.51
MEN1 O00255 2/20 0.51
GAA P10253 1/20 0.51
LMNA P02545 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
TSHR P16473 3/20 0.44
PKM P14618 1/20 0.44
HSD17B10 Q99714 1/20 0.44
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 2/20 0.43
APOBEC3G Q9HC16 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL6003121 0.84 TSHR (0.53) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL3982616 0.84 TSHR (0.48) KMT2APOLBMEN1GAALMNA
SCHEMBL5146481 0.83 TSHR (0.56) KMT2AMEN1GAALMNASMN1; SMN2
SCHEMBL6749705 0.81 ALDH1A1 (0.54) KMT2APOLBMEN1LMNAPKM
SCHEMBL5657049 0.80 L3MBTL1 (0.43) POLBGAALMNASMN1; SMN2TSHR
SCHEMBL6745871 0.80 POLB (0.57) KMT2APOLBMEN1LMNASMN1; SMN2
SCHEMBL6749538 0.80 ALDH1A1 (0.44) KMT2APOLBGAALMNASMN1; SMN2
SCHEMBL5438658 0.80 PKM (0.49) KMT2AMEN1LMNATSHRPKM
SCHEMBL5656834 0.79 APEX1 (0.43) KMT2APOLBGAALMNASMN1; SMN2
SCHEMBL6746141 0.76 KMT2A (0.52) KMT2APOLBLMNASMN1; SMN2TSHR

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 72 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180118718-A1 Substituted Quinoxaline Derivatives SELVITA S.A. (PL) 2018-05-03 US claimed
EP-3294728-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2018-03-21 EP claimed
WO-2016180537-A1 SUBSTITUTED QUINOXALINE DERIVATIVES SELVITA S.A. (PL) 2016-11-17 WO claimed
US-8242116-B2 Fused thiazole derivatives as kinase inhibitors UCB PHARMA S.A. (BE) 2012-08-14 US claimed
EP-2035436-B1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA SA (BE) 2011-05-25 EP claimed
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors UCB PHARMA S.A. (BE) 2010-06-03 US claimed
WO-2009122148-A1 FUSED THIOPHENE AND THIAZOLE DERIVATIVES AS PI3K KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-10-08 WO claimed
WO-2009071895-A1 FUSED THIAZOLE AND THIOPHENE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO claimed
WO-2009071888-A1 PYRROLOTHIAZOLES AS PI3-KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO claimed
WO-2009071890-A1 TRICYCLIC KINASE INHIBITORS UCB PHARMA S.A. (BE) 2009-06-11 WO claimed
EP-2059516-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (publ) (SE) 2009-05-20 EP claimed
EP-2035436-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB Pharma S.A. (BE) 2009-03-18 EP claimed
US-20080103141-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
US-20080103123-A1 New compounds BIOVITRUM (SE) 2008-05-01 US claimed
WO-2008025798-A1 PYRIDINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2008-03-06 WO claimed
WO-2008001076-A1 FUSED THIAZOLE DERIVATIVES AS KINASE INHIBITORS UCB PHARMA S.A. (BE) 2008-01-03 WO claimed
US-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES GERO PTE. LTD. (SG) 2023-02-16 US disclosed
CN-113396145-A PFKFB3 inhibitors and uses thereof 盖罗发现有限责任公司 2021-09-14 CN disclosed
WO-1997027248-A2 ACID DISAZO DYES AS WELL AS SULPHONAMIDES AS THEIR INTERMEDIATE PRODUCT BASF AKTIENGESELLSCHAFT (DE) 1997-07-31 WO disclosed
WO-1996041638-A1 CALPAIN INHIBITORS FOR THE TREATMENT OF NEURODEGENERATIVE DISEASES SANOFI WINTHROP, INC. (US) 1996-12-27 WO 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 (5 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-20230047816-A1 PFKFB3 INHIBITORS AND THEIR USES PFKFB3, PFKFB4, PFKFB1 KMT2A 1147/4885POLB 1101/4885MEN1 3253/4885
US-20080103141-A1 New compounds GPR119, GPR3, GPR4 KMT2A 4781/4885POLB 4644/4885MEN1 2738/4885
US-20100137302-A1 Fused Thiazole Derivatives as Kinase Inhibitors PI4KA, PDPK1, PIK3CA KMT2A 2966/4885POLB 2314/4885MEN1 1461/4885
US-20080103123-A1 New compounds GPR119, GPR139, GPR180 KMT2A 4721/4885POLB 4633/4885MEN1 2409/4885
US-20180118718-A1 Substituted Quinoxaline Derivatives BRCA1, NQO2, NQO1 KMT2A 932/4885POLB 387/4885MEN1 847/4885

“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.