SCHEMBL4481950

SCHEMBL4481950

Cc1nc(Sc2ccccc2)sc1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 10/20 0.42
POLB P06746 3/20 0.42
KDM4E B2RXH2 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
ADAMTS5 Q9UNA0 1/20 0.41
CYP1A2 P05177 1/20 0.41
CXCL12 P48061 1/20 0.41
MAPT P10636 3/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
LMNA P02545 1/20 0.40
ALDH1A1 P00352 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
FFAR1 O14842 1/20 0.39
PPARD Q03181 1/20 0.39
GFER P55789 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL11588944 0.90 MAPT (0.43) PTGDR2POLBKDM4ETDP1ADAMTS5
SCHEMBL4480982 0.83 TDP1 (0.48) POLBTDP1CYP1A2CXCL12MAPT
SCHEMBL8545353 0.82 KDM4E (0.45) PTGDR2POLBKDM4EADAMTS5CYP1A2
SCHEMBL4477996 0.81 TDP1 (0.40) POLBTDP1CYP1A2CXCL12MAPT
SCHEMBL10691153 0.80 LMNA (0.48) PTGDR2POLBKDM4ETDP1MAPT
SCHEMBL10360134 0.79 PTGDR2 (0.39) PTGDR2POLBKDM4EADAMTS5CYP1A2
SCHEMBL8591973 0.79 ECE1 (0.42) PTGDR2POLBKDM4ETDP1ADAMTS5
SCHEMBL46644 0.78 LMNA (0.40) PTGDR2POLBKDM4EADAMTS5CYP1A2
SCHEMBL8545303 0.78 KDM4E (0.43) PTGDR2POLBKDM4EADAMTS5CYP1A2
SCHEMBL8547096 0.78 ALOX15 (0.42) POLBKDM4EADAMTS5MEN1KMT2A

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-4077968-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTILIPEMIC SHIONOGI & CO., LTD. (JA) 1978-03-07 US claimed
US-7557123-B2 Heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2009-07-07 US disclosed
US-20040220215-A1 Novel heterocyclic compound and medicinal use thereof KYOTO PHARMACEUTICAL INDUSTRIES, LTD. (JP) 2004-11-04 US disclosed
EP-1403253-A1 NOVEL HETEROCYCLIC COMPOUND AND MEDICINAL USE THEREOF Kyoto Pharmaceutical Industries, Ltd. (JP) 2004-03-31 EP disclosed
US-4077968-A ANTIINFLAMMATORY, ANTIRHEUMATIC, ANALGESIC, ANTILIPEMIC SHIONOGI & CO., LTD. (JA) 1978-03-07 US disclosed
US-4025528-A ANTIINFLAMMATORY, ANALGESIC, ANTILIPEMIC SHIONOGI & CO., LTD. (JA) 1977-05-24 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 (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-20040220215-A1 Novel heterocyclic compound and medicinal use thereof GPR119, INSR, GLP1R PTGDR2 1423/4885POLB 3675/4885KDM4E 1075/4885

“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.