SCHEMBL9230962

SCHEMBL9230962

O=[N+]([O-])c1ccc2c(c1)OC(F)(F)O2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HIF1A Q16665 1/20 0.43
TSHR P16473 3/20 0.42
LMNA P02545 1/20 0.42
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA9 Q16790 1/20 0.41
TDP1 Q9NUW8 4/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 2/20 0.41
TXNRD1 Q16881 1/20 0.41
TXNRD3 Q86VQ6 1/20 0.41
TXNRD2 Q9NNW7 1/20 0.41
PTPRC P08575 1/20 0.40
S100A4 P26447 1/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40

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
SCHEMBL30330229 1.00 ALDH1A1 (0.43) ALDH1A1HIF1ATSHRLMNACA12
SCHEMBL30849385 0.89 ALDH1A1 (0.43) ALDH1A1HIF1ATSHRLMNACA12
SCHEMBL9424845 0.83 CYP1A2 (0.54) ALDH1A1TSHRLMNACA12CA1
SCHEMBL22058720 0.81 CA1 (0.46) ALDH1A1TSHRLMNACA12CA1
SCHEMBL10920807 0.81 HSD17B10 (0.46) ALDH1A1HIF1ATSHRLMNACA12
SCHEMBL24179080 0.81 TSHR (0.42) ALDH1A1HIF1ATSHRLMNACA12
SCHEMBL5311818 0.79 AKR1B1 (0.46) ALDH1A1TSHRLMNACA1CA9
SCHEMBL756076 0.78 NR3C2 (0.43) ALDH1A1TSHRLMNATDP1CYP3A4
SCHEMBL9427783 0.77 AKR1B1 (0.42) ALDH1A1TSHRLMNACA12CA1
SCHEMBL1749524 0.77 MAPT (0.51) ALDH1A1TSHRLMNACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2023-07-27 US disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-10-26 US disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-09-01 US disclosed
WO-2016138352-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2016-09-01 WO disclosed
EP-0634413-A1 Herbicides RHONE POULENC AGRICULTURE LTD. (GB) 1995-01-18 EP 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 (3 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-20230234951-A1 CYCLOPROPYL-(HETERO)ARYL-SUBSTITUTED ETHYLSULPHONYL-PYRIDINE DERIVATIVES CYCS, CYP2E1, AHR ALDH1A1 637/4885HIF1A 1677/4885TSHR 2774/4885
US-20160251376-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885HIF1A 3353/4885TSHR 1652/4885
US-20170305933-A1 TYK2 INHIBITORS AND USES THEREOF TYK2, JAK2, JAK1 ALDH1A1 4827/4885HIF1A 3353/4885TSHR 1652/4885

“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.