SCHEMBL3924678

SCHEMBL3924678

CC(C)(Cc1cccc(C(=O)NCCc2cccc(F)c2)c1)NCC(O)c1cc(O)cc(O)c1

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PARP1 P09874 1/20 0.44
▸ LMNA P02545 2/20 0.43
▸ ADRB1 P08588 3/20 0.42
▸ OPRM1 P35372 1/20 0.42
▸ OPRD1 P41143 1/20 0.42
▸ OPRK1 P41145 1/20 0.42
▸ ADRB2 P07550 9/20 0.42
▸ SNCA P37840 2/20 0.42
▸ NAMPT P43490 1/20 0.42
▸ GAA P10253 1/20 0.41
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ TSHR P16473 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ HIF1A Q16665 1/20 0.40
▸ NPC1 O15118 1/20 0.40
▸ RAB9A P51151 1/20 0.40

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
SCHEMBL13840701 1.00 PARP1 (0.44) PARP1LMNAADRB1OPRM1OPRD1
SCHEMBL13840708 0.88 ADRB2 (0.45) ADRB1ADRB2SNCA
SCHEMBL3918580 0.88 ADRB2 (0.45) ADRB1ADRB2SNCA
SCHEMBL3917066 0.87 NPC1 (0.47) PARP1ADRB1ADRB2GAANPC1
SCHEMBL13840696 0.87 NPC1 (0.47) PARP1ADRB1ADRB2GAANPC1
SCHEMBL4395165 0.86 ADRB2 (0.61) ADRB1ADRB2TSHRHIF1A
SCHEMBL4395162 0.86 ADRB2 (0.61) ADRB1ADRB2TSHRHIF1A
SCHEMBL13840626 0.85 PARP1 (0.41) PARP1LMNAADRB1OPRM1OPRD1
SCHEMBL3925046 0.85 PARP1 (0.41) PARP1LMNAADRB1OPRM1OPRD1
SCHEMBL3916802 0.84 ADRB2 (0.43) PARP1LMNAADRB1ADRB2CYP3A4

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-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 — — EP claimed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 — — EP claimed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 — — WO claimed
EP-1730141-B1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LTD (GB) 2009-05-27 — — EP disclosed
US-7538141-B2 Compounds for the treatment of diseases PFIZER INC. 2009-05-26 — — US disclosed
EP-1730141-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES Pfizer Limited (GB) 2006-12-13 — — EP disclosed
US-20050222128-A1 Compounds for the treatment of diseases PFIZER INC 2005-10-06 — — US disclosed
WO-2005092887-A1 COMPOUNDS FOR THE TREATMENT OF DISEASES PFIZER LIMITED (GB) 2005-10-06 — — 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-20050222128-A1 Compounds for the treatment of diseases LTC4S, LTB4R2, CYP11B2 PARP1 2533/4885LMNA 1540/4885ADRB1 569/4885

“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.

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