SCHEMBL6739428

SCHEMBL6739428

CSc1ccc(C2=C(c3ccccc3)C(=O)OC2)cc1C

nearest known ligand 0.57

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.57
PTGS1 P23219 4/20 0.52
LMNA P02545 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
PTGS2 P35354 10/20 0.51
ABCB11 O95342 1/20 0.51
ALDH1A1 P00352 1/20 0.51
MT-CO2 P00403 1/20 0.51
HTR1A P08908 1/20 0.51
ADORA3 P0DMS8 1/20 0.51
MC4R P32245 1/20 0.51
CYP19A1 P11511 1/20 0.46

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
SCHEMBL6734580 0.92 PTGS1 (0.57) KMT2APTGS1LMNAHTTSMN1; SMN2
SCHEMBL6742844 0.89 PTGS1 (0.62) KMT2APTGS1LMNAHTTSMN1; SMN2
SCHEMBL6739277 0.87 PTGS1 (0.59) KMT2APTGS1LMNAHTTSMN1; SMN2
SCHEMBL6738758 0.86 LMNA (0.47) KMT2APTGS1LMNAHTTSMN1; SMN2
SCHEMBL6740507 0.85 KMT2A (0.55) KMT2APTGS1LMNAHTTSMN1; SMN2
SCHEMBL6723829 0.85 PTGS1 (0.58) KMT2APTGS1PTGS2ABCB11ALDH1A1
SCHEMBL6737927 0.84 PTGS1 (0.57) PTGS1LMNAHTTSMN1; SMN2PTGS2
SCHEMBL6739886 0.84 LMNA (0.46) KMT2APTGS1LMNAHTTSMN1; SMN2
SCHEMBL6739118 0.83 CYP19A1 (0.63) KMT2APTGS1PTGS2ABCB11ALDH1A1
SCHEMBL6739443 0.82 PTGS2 (0.47) PTGS1LMNAHTTSMN1; SMN2PTGS2

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
US-6686390-B2 DIHYDROFURANONYL- OR DIHYDROPYRROLINONYL-PHENYL COMPOUNDS CONTAINING SUBSTITUTED THIO, SULFOXIDE OR SULFONYL GROUPS DR. REDDY'S LABORATORIES LIMITED (IN) 2004-02-03 US claimed
US-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2002-03-14 US claimed
WO-2001090097-A2 NOVEL COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-11-29 WO claimed
US-6686390-B2 DIHYDROFURANONYL- OR DIHYDROPYRROLINONYL-PHENYL COMPOUNDS CONTAINING SUBSTITUTED THIO, SULFOXIDE OR SULFONYL GROUPS DR. REDDY'S LABORATORIES LIMITED (IN) 2004-02-03 US disclosed
US-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them DR. REDDY'S LABORATORIES LTD. 2002-03-14 US disclosed
WO-2001090097-A2 NOVEL COMPOUNDS HAVING ANTIINFLAMMATORY ACTIVITY: PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM DR. REDDY'S RESEARCH FOUNDATION (IN) 2001-11-29 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 (1 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-20020032230-A1 Novel compounds having antiinflamatory activity: process for their preparation and pharmaceutical compositions containing them H4C1; H4C2; H4C3; H4C4; H4C5; H4C6; H4C8; H4C9; H4C11; H4C12; H4C13; H4C14; H4C15; H4C16, TPSAB1, ACE KMT2A 4740/4885PTGS1 42/4885LMNA 653/4885

“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.