SCHEMBL13797489

SCHEMBL13797489

CC(C)S(=O)(=O)c1ccc(Cl)cc1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV4 Q9HBA0 4/20 0.48
LMNA P02545 3/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
HSD11B1 P28845 2/20 0.43
TP53 P04637 2/20 0.42
HTT P42858 1/20 0.42
EDNRA P25101 2/20 0.42
EDNRB P24530 1/20 0.42
AKR1B1 P15121 1/20 0.41
ITGA1 P56199 1/20 0.41
PSEN1 P49768 1/20 0.41
PSEN2 P49810 1/20 0.41
APH1B Q8WW43 1/20 0.41
NCSTN Q92542 1/20 0.41
APH1A Q96BI3 1/20 0.41
PSENEN Q9NZ42 1/20 0.41
HPGD P15428 1/20 0.40
TSHR P16473 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
SCHEMBL14519915 0.84 ALDH1A1 (0.49) LMNAMAPTMAPK1NPSR1TP53
SCHEMBL23251426 0.82 TRPV4 (0.47) TRPV4LMNAMAPTHSD11B1TP53
SCHEMBL14866077 0.81 CYP3A4 (0.44) TRPV4LMNAMAPTMAPK1NPSR1
SCHEMBL14443238 0.81 CCR2 (0.50) TRPV4LMNAMAPTMAPK1NPSR1
SCHEMBL13797487 0.81 AKR1B1 (0.44) TRPV4AKR1B1PSEN1PSEN2APH1B
SCHEMBL2413486 0.81 HSD11B1 (0.44) TRPV4LMNAMAPTMAPK1NPSR1
SCHEMBL9732423 0.80 TRPV4 (0.46) TRPV4LMNAMAPTHSD11B1TP53
SCHEMBL21773462 0.78 ALDH1A1 (0.50) TRPV4LMNAMAPTMAPK1NPSR1
SCHEMBL27183053 0.78 ITGA1 (0.41) TRPV4HSD11B1HTTITGA1PSEN1
SCHEMBL2822609 0.77 CYP3A4 (0.43) TRPV4LMNAMAPTMAPK1NPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2021-04-20 US disclosed
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2021-01-07 US disclosed
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-09-08 US disclosed
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF Crinetics Pharmaceuticals, Inc. 2020-07-09 US disclosed
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-03-31 US disclosed
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof Crinetics Pharmaceuticals, Inc. (US) 2020-02-18 US disclosed
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN BRADLEY MARK (GB) 2019-04-11 US disclosed
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein ITI SCOTLAND LIMITED (GB) 2014-10-23 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-7550458-B2 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY (US) 2009-06-23 US disclosed
US-20070203183-A1 Diaryl piperidines as CB1 modulators SCHERING CORPORATION 2007-08-30 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function BRISTOL-MYERS SQUIBB COMPANY 2007-04-19 US disclosed
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma PHARMACIA CORPORATION 2007-04-05 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 (11 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-20070203183-A1 Diaryl piperidines as CB1 modulators CNR1, CNR2, GPR119 TRPV4 410/4885LMNA 3607/4885MAPT 1218/4885
US-10604507-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TRPV4 497/4885LMNA 4172/4885MAPT 1929/4885
US-10562884-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TRPV4 497/4885LMNA 4172/4885MAPT 1929/4885
US-20210002254-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TRPV4 497/4885LMNA 4172/4885MAPT 1929/4885
US-20070078146-A1 Antiinflamamtory agents; antiarthritic agents; inflammatory bowel disorders; multiple sclerosis; asthma MAPK1, MAPK3, MAPK4 TRPV4 3970/4885LMNA 4386/4885MAPT 3082/4885
US-10766877-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TRPV4 497/4885LMNA 4172/4885MAPT 1929/4885
US-20200216415-A1 MELANOCORTIN SUBTYPE-2 RECEPTOR (MC2R) ANTAGONISTS AND USES THEREOF MC3R, MC1R, MC2R TRPV4 497/4885LMNA 4172/4885MAPT 1929/4885
US-20070088029-A1 Tricycloundecane compounds useful as modulators of nuclear hormone receptor function VDR, ESRRB, NR5A1 TRPV4 1305/4885LMNA 3299/4885MAPT 4312/4885
US-20190106460-A1 BINDING INHIBITORS OF THE BETA. TRANSDUCIN REPEAT-CONTAINING PROTEIN TARDBP, DDB1, EPS15 TRPV4 4618/4885LMNA 2713/4885MAPT 1606/4885
US-20140315784-A1 Binding Inhibitors of the Beta. Transducin Repeat-Containing Protein TARDBP, EPS15, TTC14 TRPV4 4672/4885LMNA 3039/4885MAPT 1938/4885
US-10981894-B2 Melanocortin subtype-2 receptor (MC2R) antagonists and uses thereof MC3R, MC1R, MC2R TRPV4 497/4885LMNA 4172/4885MAPT 1929/4885

“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.