SCHEMBL6584800

SCHEMBL6584800

COC(=O)C(O)c1cc2c(cc1Cl)OCO2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 5/20 0.40
TAS1R1 Q7RTX1 5/20 0.40
KDM4E B2RXH2 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
TP53 P04637 1/20 0.39
MAPT P10636 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
EDNRA P25101 4/20 0.38
ALDH1A1 P00352 2/20 0.38
RXFP1 Q9HBX9 1/20 0.38
TSHR P16473 1/20 0.37
CYP3A4 P08684 1/20 0.37

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
SCHEMBL6584667 0.84 TAS1R3 (0.39) TAS1R3TAS1R1KDM4ENPC1RAB9A
SCHEMBL6339496 0.75 PDE2A (0.40) SMN1; SMN2MEN1KMT2AALDH1A1CYP3A4
SCHEMBL805660 0.74 EDNRA (0.55) TAS1R3TAS1R1KDM4ESMN1; SMN2MEN1
SCHEMBL27614318 0.73 TSHR (0.45) KDM4ENPC1RAB9ASMN1; SMN2TP53
SCHEMBL8448325 0.72 TAS1R3 (0.43) TAS1R3TAS1R1KDM4EMAPTHSD17B10
SCHEMBL8590501 0.71 LMNA (0.46) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL8590498 0.71 LMNA (0.46) TP53MAPTMEN1KMT2AALDH1A1
SCHEMBL880167 0.71 CYP2D6 (0.37) NPC1RAB9ASMN1; SMN2TP53MAPT
SCHEMBL2382788 0.70 AKR1C3 (0.44) TAS1R3TAS1R1ALDH1A1TSHRCYP3A4
SCHEMBL8215510 0.70 BRS3 (0.41) TAS1R3TAS1R1SMN1; SMN2MEN1KMT2A

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
EP-0901470-B1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER (US) 2004-03-31 EP disclosed
US-6384070-B2 RESTENOSIS, KIDNEY DISEASES, LUNG DISEASES PFIZER INC. 2002-05-07 US disclosed
US-6306852-B1 INDOLE DERIVATIVES USEFUL IN THE TREATMENT OF A VARIETY OF DISEASES INCLUDING RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION, AND TO PHARMACEUTICAL FORMULATIONS CONTAINING SUCH COMPOUNDS. PFIZER INC. 2001-10-23 US disclosed
US-20010014677-A1 Restenosis, kidney diseases, lung diseases RAWSON DAVID JAMES (GB) 2001-08-16 US disclosed
US-6136843-A CARDIOVASCULAR DISORDERS; KIDNEY DISORDERS PFIZER INC (US) 2000-10-24 US disclosed
US-6017945-A USEFUL IN THE TREATMENT OF RESTENOSIS, RENAL FAILURE AND PULMONARY HYPERTENSION PFIZER INC. (US) 2000-01-25 US disclosed
EP-0901470-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1999-03-17 EP disclosed
WO-1997043260-A1 INDOLE DERIVATIVES USEFUL AS ENDOTHELIN RECEPTOR ANTAGONISTS PFIZER INC. (US) 1997-11-20 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-20010014677-A1 Restenosis, kidney diseases, lung diseases NR1H2, NR1H3, NR1H4 TAS1R3 1858/4885TAS1R1 1804/4885KDM4E 4436/4885

“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.