SCHEMBL2768615

SCHEMBL2768615

N#Cc1ccc(SCc2ccccc2)s1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.50
CA1 P00915 3/20 0.50
CA2 P00918 3/20 0.50
CA9 Q16790 3/20 0.50
MAOA P21397 3/20 0.49
MAOB P27338 3/20 0.49
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 2/20 0.39
MAPK1 P28482 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
TTR P02766 2/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
POLB P06746 1/20 0.38
HSD17B10 Q99714 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL17801584 0.73 CA12 (0.54) CA12CA1CA2CA9MAOA
SCHEMBL19259619 0.73 MAOA (0.47) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL23531831 0.69 CA12 (0.50) CA12CA1CA2CA9LMNA
SCHEMBL27174941 0.67 CA2 (1.00) CA12CA1CA2CA9POLB
SCHEMBL506431 0.66 MAOB (1.00) MAOAMAOBL3MBTL1LMNATSHR
SCHEMBL4014797 0.66 MAOA (0.59) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL1680710 0.66 MAOB (0.50) MAOAMAOBMEN1KMT2AALDH1A1
SCHEMBL7021827 0.65
2,5-Thiophenedinitrile SCHEMBL996528 0.65
SCHEMBL3047534 0.64 HPGD (0.50) CA12CA1CA2CA9MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7834049-B2 Sulfonamide compound for treating arteriosclerosis, psoriasis, colon cancer, retinal angiogenesis, diabetic retinopathy or inflammatory diseases EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-11-16 US disclosed
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR WAKABAYASHI TOSHIAKI 2010-10-21 US disclosed
EP-1258252-B1 INTEGRIN EXPRESSION INHIBITORS EISAI R&D MAN CO LTD (JP) 2010-04-21 EP disclosed
CN-100356979-C Integrin expression inhibitors EISAI CO LTD (JP) 2007-12-26 CN disclosed
US-20050176712-A1 Integrin expression inhibitor EISAI CO., LTD. 2005-08-11 US disclosed
US-20040018192-A1 Integrin expression inhibitors EISAI CO., LTD. (JP) 2004-01-29 US disclosed
CN-1396833-A Integrin expression inhibitors EISAI CO LTD (JP) 2003-02-12 CN disclosed
EP-1258252-A1 INTEGRIN EXPRESSION INHIBITORS Eisai Co., Ltd. (JP) 2002-11-20 EP 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-20050176712-A1 Integrin expression inhibitor ITGB5, ITGB1, ITGB2 CA12 513/4885CA1 867/4885CA2 821/4885
US-20100267754-A1 INTEGRIN EXPRESSION INHIBITOR ITGB5, ITGB1, ITGB2 CA12 513/4885CA1 867/4885CA2 821/4885
US-20040018192-A1 Integrin expression inhibitors ITGB1, ITGB4, ITGB5 CA12 535/4885CA1 827/4885CA2 631/4885

“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.