SCHEMBL11898232

SCHEMBL11898232

C[C@@H](O)c1cc(Cl)cc(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.44
GABRA1 P14867 1/20 0.42
GABRB1 P18505 1/20 0.42
UGT2B7 P16662 1/20 0.38
GRN P28799 2/20 0.35
SORT1 Q99523 2/20 0.35
CYP3A4 P08684 2/20 0.35
TP53 P04637 1/20 0.35
TPMT P51580 1/20 0.35
CNR2 P34972 2/20 0.34
CNR1 P21554 1/20 0.34
APP P05067 2/20 0.33
ALDH1A1 P00352 2/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
ADRB2 P07550 1/20 0.33
RECQL P46063 1/20 0.33
HSD17B10 Q99714 1/20 0.33
EPAS1 Q99814 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL9027044 1.00 TSHR (0.44) TSHRGABRA1GABRB1UGT2B7GRN
SCHEMBL16094124 1.00 TSHR (0.44) TSHRGABRA1GABRB1UGT2B7GRN
SCHEMBL19667846 0.94 GABRA1 (0.42) TSHRGABRA1GABRB1UGT2B7GRN
SCHEMBL17025386 0.85 GABRA1 (0.37) TSHRGABRA1GABRB1UGT2B7EPAS1
SCHEMBL17025364 0.85 GABRA1 (0.37) TSHRGABRA1GABRB1UGT2B7EPAS1
SCHEMBL1834420 0.84 EPAS1 (0.43) GABRA1GABRB1UGT2B7GRNSORT1
SCHEMBL1835863 0.84 EPAS1 (0.43) GABRA1GABRB1UGT2B7GRNSORT1
SCHEMBL27860515 0.80 ALDH1A1 (0.39) GABRA1GABRB1UGT2B7CYP3A4CNR2
SCHEMBL31401464 0.79 TPMT (0.59) TSHRGRNSORT1TPMTADRB2
SCHEMBL630804 0.79 PDE2A (0.47) GRNSORT1CNR1ALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2200612-B1 INHIBITORS OF JANUS KINASES SCHERING CORP (US) 2012-08-08 EP claimed
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response SITRYX THERAPEUTICS LIMITED (GB) 2025-08-19 US disclosed
EP-3962602-B1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LTD (GB) 2025-06-25 EP disclosed
US-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE SITRYX THERAPEUTICS LIMITED (GB) 2022-08-25 US disclosed
EP-3962602-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2022-03-09 EP disclosed
EP-3962888-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF IN TREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE Sitryx Therapeutics Limited (GB) 2022-03-09 EP disclosed
US-11203572-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2021-12-21 US disclosed
EP-3854782-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF Genentech, Inc. (US) 2021-07-28 EP disclosed
US-20210155588-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2021-05-27 US disclosed
US-10961231-B2 NTCP inhibitors NATIONAL INSTITUTE OF BIOLOGICAL SCIENCES, BEIJING (CN) 2021-03-30 US disclosed
US-10179767-B2 Substituted benzamides and methods of use thereof GENENTECH, INC. (US) 2019-01-15 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-9550775-B2 Substituted triazolopyridines and methods of use thereof GENENTECH, INC. (US) 2017-01-24 US disclosed
US-20160340309-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-11-24 US disclosed
US-20160340309-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-11-24 US disclosed
US-20160340309-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2016-11-24 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US disclosed
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF XENON PHARMACEUTICALS INC. (CA) 2016-01-14 US 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 (8 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-10179767-B2 Substituted benzamides and methods of use thereof SCN7A, SCN2B, SCN5A TSHR 4468/4885GABRA1 197/4885GABRB1 179/4885
US-20160340309-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF SCN7A, SCN2B, SCN5A TSHR 4468/4885GABRA1 197/4885GABRB1 179/4885
US-20220265595-A1 ITACONIC ACID DERIVATIVES AND USES THEREOF INTREATING AN INFLAMMATORY DISEASE OR A DISEASE ASSOCIATED WITH AN UNDESIRABLE IMMUNE RESPONSE IL1R1, IL1B, IL1A TSHR 3856/4885GABRA1 2435/4885GABRB1 2593/4885
US-20210155588-A1 SUBSTITUTED BENZAMIDES AND METHODS OF USE THEREOF BRIX1, RDX, RRM1 TSHR 643/4885GABRA1 489/4885GABRB1 462/4885
US-11203572-B2 Substituted benzamides and methods of use thereof BRIX1, RDX, RRM1 TSHR 643/4885GABRA1 489/4885GABRB1 462/4885
US-20160009710-A1 SUBSTITUTED TRIAZOLOPYRIDINES AND METHODS OF USE THEREOF P2RX3, P2RX1, P2RX4 TSHR 354/4885GABRA1 3387/4885GABRB1 3557/4885
US-10961231-B2 NTCP inhibitors HAVCR2, NPC1, HMGCR TSHR 2808/4885GABRA1 3077/4885GABRB1 3366/4885
US-12390437-B2 Itaconic acid derivatives and uses thereof intreating an inflammatory disease or a disease associated with an undesirable immune response IL1R1, IL1B, IL1A TSHR 3856/4885GABRA1 2435/4885GABRB1 2593/4885

“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.