SCHEMBL1787447

SCHEMBL1787447

C[S+]([O-])c1nccc(CSc2ncccc2C(=O)Nc2ccc(Cl)cc2)n1

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.60
NPC1 O15118 1/20 0.47
TSHR P16473 1/20 0.47
ALDH1A1 P00352 4/20 0.44
KDM4E B2RXH2 3/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
KMT2A Q03164 4/20 0.43
TDP1 Q9NUW8 1/20 0.42
MEN1 O00255 2/20 0.41
MAPT P10636 2/20 0.40
TRPV1 Q8NER1 1/20 0.39
ATM Q13315 1/20 0.39
RAB9A P51151 1/20 0.39
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CRHBP P24387 1/20 0.38
CYP2C19 P33261 1/20 0.38
CRHR2 Q13324 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
SCHEMBL1789920 0.90 KDR (0.48) KDRNPC1ALDH1A1KDM4ELMNA
SCHEMBL1789248 0.87 KDR (0.43) KDRNPC1ALDH1A1KDM4ELMNA
SCHEMBL1788662 0.86 KMT2A (0.53) KDRNPC1ALDH1A1KDM4ESMN1; SMN2
SCHEMBL1786747 0.83 KDR (0.66) KDRNPC1TSHRALDH1A1KDM4E
SCHEMBL1789590 0.83 MEN1 (0.49) KDRALDH1A1KDM4ELMNASMN1; SMN2
SCHEMBL1784588 0.83 KDR (0.62) KDRNPC1TSHRALDH1A1KDM4E
SCHEMBL1788101 0.83 NPC1 (0.40) KDRNPC1ALDH1A1KDM4ELMNA
SCHEMBL1788133 0.82 ALDH1A1 (0.54) NPC1ALDH1A1KDM4ESMN1; SMN2KMT2A
SCHEMBL1785017 0.79 KDR (0.74) KDRNPC1TSHRALDH1A1KDM4E
SCHEMBL1788425 0.79 KDR (0.57) KDRNPC1TSHRALDH1A1KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1864977-B1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO LTD (JP) 2015-07-29 EP disclosed
US-8507485-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2013-08-13 US disclosed
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-05-26 US disclosed
US-7906511-B2 Cyclic compound having pyrimidinylalkylthio group SANTEN PHARMACEUTICAL CO., LTD. (JP) 2011-03-15 US disclosed
US-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group SATEN PHARMACEUTICAL CO., LTD. (JP) 2009-11-26 US disclosed
EP-1864977-A1 NOVEL CYCLIC COMPOUND HAVING PYRIMIDINYLALKYLTHIO GROUP SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-12-12 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 (2 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-20090291951-A1 Novel Cyclic Compound Having Pyrimidinylalkylthio Group AGTR1, AGTR2, ARRB1 KDR 2531/4885NPC1 1451/4885TSHR 511/4885
US-20110124646-A1 Novel cyclic compound having pyrimidinylalkylthio group FLT1, VEGFA, FLT4 KDR 4/4885NPC1 1069/4885TSHR 475/4885

“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.