SCHEMBL3440599

SCHEMBL3440599

Cc1ccc(C)c(Cc2ccccc2S)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 1/20 0.44
TACR1 P25103 1/20 0.40
TSHR P16473 3/20 0.39
GAA P10253 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2D6 P10635 2/20 0.39
CYP2C19 P33261 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
AMY1A P0DUB6 1/20 0.38
CYP2A6 P11509 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
TNF P01375 1/20 0.35
TP53 P04637 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL30702302 1.00 TAAR1 (0.44) TAAR1TACR1TSHRGAACYP3A4
SCHEMBL29155377 0.85 PYCR1 (0.40) TSHRCYP3A4CYP2D6CYP2C19NPC1
SCHEMBL8086482 0.84 TAAR1 (0.50) TAAR1TACR1TSHRGAACYP3A4
SCHEMBL15120041 0.82 TAAR1 (0.45) TAAR1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL5252725 0.82 TAAR1 (0.60) TAAR1TACR1GAANPC1RAB9A
SCHEMBL9718454 0.78 LMNA (0.44) TAAR1TSHRCYP3A4CYP2D6CYP2C19
SCHEMBL21380597 0.77 HSPA5 (0.46) CYP3A4CYP2D6CYP2C19CYP2A6TDP1
SCHEMBL3440657 0.75 ALDH1A1 (0.42) TAAR1TACR1TSHRGAACYP3A4
SCHEMBL1276089 0.75 CYP3A4 (0.57) TAAR1TACR1TSHRGAACYP3A4
SCHEMBL28534680 0.75 IDO1 (0.43) TSHRCYP3A4CYP2D6CYP2C19NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117347518-A Detection method for related substances of key starting materials of voathixetine 山东京卫制药有限公司 2024-01-05 CN disclosed
US-8450374-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2013-05-28 US disclosed
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal UNIVERSITY OF DELAWARE 2010-12-30 US disclosed
US-7807713-B2 Pan-antagonists for the androgen receptor and androgen associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2010-10-05 US disclosed
US-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2009-10-29 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-7550505-B2 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal UNIVERSITY OF DELAWARE (US) 2009-06-23 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2008-03-13 US disclosed
WO-2008013791-A2 PAN-ANTAGONISTS FOR THE ANDROGEN RECEPTOR AND ANDROGEN RECEPTOR MUTANTS ASSOCIATED WITH ANTI-ANDROGEN WITHDRAWAL UNIVERSITY OF DELAWARE (US) 2008-01-31 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 (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-20090270512-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG TAAR1 643/4885TACR1 350/4885TSHR 461/4885
US-20080064757-A1 Pan-antagonists for the androgen receptor and androgen receptor mutants associated with anti-androgen withdrawal AR, NR5A1, SHBG TAAR1 643/4885TACR1 350/4885TSHR 461/4885
US-20100331418-A1 Pan-Antagonists For The Androgen Receptor And Androgen Receptor Mutants Associated With Anti-Androgen Withdrawal AR, NR5A1, SHBG TAAR1 643/4885TACR1 350/4885TSHR 461/4885

“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.