SCHEMBL3012965

SCHEMBL3012965

Cc1[nH]c2cccc(Br)c2c1Sc1ccccc1Cl

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.41
PTGS2 P35354 1/20 0.40
TUBB4A P04350 2/20 0.38
TUBB P07437 2/20 0.38
TUBA3C P0DPH7 2/20 0.38
TUBA1B P68363 2/20 0.38
TUBA4A P68366 2/20 0.38
TUBB4B P68371 2/20 0.38
TUBB3 Q13509 2/20 0.38
TUBB2A Q13885 2/20 0.38
TUBB8 Q3ZCM7 2/20 0.38
TUBA3E Q6PEY2 2/20 0.38
TUBA1A Q71U36 2/20 0.38
TUBA1C Q9BQE3 2/20 0.38
TUBB6 Q9BUF5 2/20 0.38
TUBB2B Q9BVA1 2/20 0.38
TUBB1 Q9H4B7 2/20 0.38
FEN1 P39748 1/20 0.35
LDHA P00338 2/20 0.35
LDHB P07195 2/20 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
SCHEMBL3014352 0.88 RHEB (0.45) RHEBPTGS2TUBB4ATUBBTUBA3C
SCHEMBL6482406 0.75 PTGS2 (0.45) RHEBPTGS2TYMSDHFRHAO1
SCHEMBL5359403 0.74 IDO1 (0.42) RHEBPTGS2TUBB4ATUBBTUBA3C
SCHEMBL3000123 0.71 RHEB (0.42) RHEBPTGS2TUBB4ATUBBTUBA3C
SCHEMBL3012434 0.70 ENPP2 (0.54) RHEBPTGS2TUBB4ATUBBTUBA3C
SCHEMBL5355744 0.70 IDO1 (0.56) RHEBPTGS2TUBB4ATUBBTUBA3C
SCHEMBL5348378 0.70 AKR1B1 (0.46) RHEBPTGS2TUBB4ATUBBTUBA3C
SCHEMBL1251770 0.70 PTGS2 (0.52) PTGS2TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL26165602 0.69 DHFR (0.49) RHEBLDHALDHBDHFRHAO1
SCHEMBL22609023 0.68 AHR (0.52) FEN1AHRMAPTSMN1; 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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120178764-A1 Novel Compounds BONNERT ROGER (GB) 2012-07-12 US disclosed
US-20100197756-A1 Indole-3-Sulphur Derivatives ASTRAZENECA AB (SE) 2010-08-05 US disclosed
US-7723373-B2 Indole-3-sulphur derivatives ASTRAZENECA AB (SE) 2010-05-25 US disclosed
US-7687535-B2 Substituted 3-sulfur indoles ASTRAZENECA AB (SE) 2010-03-30 US disclosed
EP-1551802-B1 INDOLE-3-SULPHUR DERIVATIVES ASTRAZENECA AB (SE) 2009-12-02 EP disclosed
US-20090163518-A1 Novel Compounds ASTRAZENECA AB (SE) 2009-06-25 US disclosed
EP-2025670-A1 3-(Phenyl or quinolyl)thio-1H-indole-1-acetic acid derivatives as modulators of CRTh2 receptor activity AstraZeneca AB (SE) 2009-02-18 EP disclosed
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles ASTRAZENECA AB (SE) 2008-10-09 US disclosed
US-7166607-B2 Substituted indoles ASTRAZENECA AB (SE) 2007-01-23 US disclosed
US-20060111426-A1 Indole-3-sulphur derivaties ASTRAZENECA AB (SE) 2006-05-25 US disclosed
US-20050165055-A1 Novel substituted indoles ASTRAZENECA AB (SE) 2005-07-28 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 (6 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-20050165055-A1 Novel substituted indoles IDO1, IDO2, TPH1 RHEB 2834/4885PTGS2 539/4885TUBB4A 1248/4885
US-20100197756-A1 Indole-3-Sulphur Derivatives IDO1, IDO2, INMT RHEB 2326/4885PTGS2 534/4885TUBB4A 1833/4885
US-20120178764-A1 Novel Compounds IDO1, IDO2, MTNR1A RHEB 1592/4885PTGS2 339/4885TUBB4A 1744/4885
US-20090163518-A1 Novel Compounds IDO1, IDO2, MTNR1A RHEB 1592/4885PTGS2 339/4885TUBB4A 1744/4885
US-20060111426-A1 Indole-3-sulphur derivaties IDO1, IDO2, INMT RHEB 3112/4885PTGS2 853/4885TUBB4A 2511/4885
US-20080249110-A1 Novel Substituted 3-Sulfur Indoles IDO1, IDO2, AANAT RHEB 3148/4885PTGS2 926/4885TUBB4A 1582/4885

“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.