SCHEMBL46219

SCHEMBL46219

O=C1/C(=C/c2ccc(-c3ccccc3)o2)SC(=S)N1Cc1ccco1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
MAPT P10636 6/20 0.61
LMNA P02545 4/20 0.61
POLB P06746 4/20 0.61
RAB9A P51151 2/20 0.61
MEN1 O00255 5/20 0.60
KMT2A Q03164 5/20 0.60
RECQL P46063 3/20 0.60
TDP1 Q9NUW8 2/20 0.60
ALOX12 P18054 2/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MAPK1 P28482 2/20 0.57
CRHBP P24387 1/20 0.57
CRHR2 Q13324 1/20 0.57
CYP1A2 P05177 1/20 0.57
CYP3A4 P08684 1/20 0.57
CYP2C9 P11712 1/20 0.57
CYP2C19 P33261 1/20 0.57
NPC1 O15118 1/20 0.56
HPGD P15428 1/20 0.56

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
SCHEMBL3900336 0.91 MAP3K5 (0.62) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL5992796 0.91 MAP3K5 (0.62) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL5991871 0.91 HIF1AN (0.64) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL3900339 0.91 MAP3K5 (0.62) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL14860651 0.91 HIF1AN (0.64) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL14860649 0.91 HIF1AN (0.64) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL683937 0.89 ITGB2 (0.58) ALDH1A1MAPTLMNAPOLBRAB9A
SCHEMBL14859645 0.88 MAP3K5 (0.66) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL14859642 0.88 MAP3K5 (0.66) ALDH1A1MAPTLMNAPOLBMEN1
SCHEMBL3904831 0.88 MEN1 (0.54) ALDH1A1MAPTLMNAPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3243821-B1 PHARMACEUTICAL FORMULATIONS FOR REGULATING INTEGRIN CD11B/CD18 GB006 INC (US) 2020-02-26 EP disclosed
US-10239871-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2019-03-26 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2016-06-02 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9328105-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2016-05-03 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-9023876-B2 Compounds and methods for regulating integrins ADHAERE PHARMACEUTICALS, INC. (US) 2015-05-05 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ATEGRIN, INC. 2015-04-16 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
US-20120010255-A1 Compounds and Methods for Regulating Integrins ATEGRIN, INC. 2012-01-12 US disclosed
WO-2012005800-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRIN CD11B/CD18 ADHAERE PHARAMACEUTICALS, INC. (US) 2012-01-12 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 (4 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-10239871-B2 Compounds and methods for regulating integrins ITGA2, ITGB2, ITGA2B ALDH1A1 1927/4885MAPT 4654/4885LMNA 1434/4885
US-20120010255-A1 Compounds and Methods for Regulating Integrins ITGB8, ITGB3, ITGAM ALDH1A1 473/4885MAPT 4318/4885LMNA 3145/4885
US-20150105435-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ALDH1A1 1927/4885MAPT 4654/4885LMNA 1434/4885
US-20160151336-A1 COMPOUNDS AND METHODS FOR REGULATING INTEGRINS ITGA2, ITGB2, ITGA2B ALDH1A1 1927/4885MAPT 4654/4885LMNA 1434/4885

“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.