SCHEMBL17593373

SCHEMBL17593373

O=[N+]([O-])c1cc(C(F)(F)F)cc(S(=O)(=O)Cl)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ CYP3A4 P08684 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ HIF1A Q16665 1/20 0.46
▸ TXNRD1 Q16881 1/20 0.46
▸ TXNRD3 Q86VQ6 1/20 0.46
▸ TXNRD2 Q9NNW7 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ HSP90AA1 P07900 1/20 0.43
▸ CXCR5 P32302 1/20 0.43
▸ APLNR P35414 1/20 0.43
▸ CCR6 P51684 1/20 0.43
▸ P2RX1 P51575 2/20 0.40
▸ P2RX4 Q99571 1/20 0.40
▸ P2RX7 Q99572 1/20 0.40
▸ LMNA P02545 1/20 0.39
▸ CA2 P00918 2/20 0.39
▸ CA5A P35218 2/20 0.39

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
SCHEMBL8863562 0.86 GAA (0.49) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL21410215 0.83 CA2 (0.51) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL2871473 0.83 HSP90AA1 (0.43) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL23113418 0.83 HTT (0.42) ALDH1A1TSHRLMNACA2CA5A
Bromide SCHEMBL25295782 0.82 CA2 (0.50) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL816810 0.82 HTT (0.48) ALDH1A1TSHRLMNACA2CA5A
SCHEMBL2214769 0.82 CYP19A1 (0.52) ALDH1A1CYP3A4TSHRLMNACA2
SCHEMBL1005841 0.80 TSHR (0.55) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL1996062 0.80 ALDH1A1 (0.55) ALDH1A1CYP3A4HPGDALOX15TSHR
SCHEMBL67742 0.80 CES2 (0.48) ALDH1A1CYP3A4HPGDALOX15TSHR

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 19 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 — — US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 — — EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 — — CN disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 — — EP disclosed
EP-3191449-B1 COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE IP DEV LTD (GB) 2020-07-01 — — EP disclosed
CN-107250110-B Novel compounds as inhibitors of transfection Rearrangement (RET) 葛兰素史克知识产权发展有限公司 2020-04-24 — — CN disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 — — US disclosed
US-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-05-21 — — US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-04-12 — — US disclosed
US-9879021-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-30 — — US disclosed
US-9879021-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-30 — — US disclosed
US-9879021-B2 Compounds as rearranged during transfection (RET) inhibitors GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2018-01-30 — — US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 — — US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 — — US disclosed
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2017-10-19 — — US disclosed
EP-3191449-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GlaxoSmithKline Intellectual Property Development Limited (GB) 2017-07-19 — — EP disclosed
WO-2016037578-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2016-03-17 — — 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 (4 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-10294236-B2 Compounds as rearranged during transfection (RET) inhibitors RET, FER, THRB ALDH1A1 2176/4885CYP3A4 2931/4885HPGD 3888/4885
US-20170298074-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB ALDH1A1 2779/4885CYP3A4 3203/4885HPGD 3925/4885
US-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 ALDH1A1 2394/4885CYP3A4 3794/4885HPGD 1397/4885
US-20180099976-A1 NOVEL COMPOUNDS AS REARRANGED DURING TRANSFECTION (RET) INHIBITORS RET, FER, THRB ALDH1A1 2779/4885CYP3A4 3203/4885HPGD 3925/4885

“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.

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