SCHEMBL4898708

SCHEMBL4898708

CSc1ccccc1-c1c(C)c(C(=O)O)cn1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.40
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
ALDH1A1 P00352 4/20 0.38
MAPT P10636 4/20 0.38
RAB9A P51151 3/20 0.38
KDM4E B2RXH2 2/20 0.38
HPGD P15428 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
NPC1 O15118 2/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRIA2 P42262 1/20 0.37
GRIA4 P48058 1/20 0.37
MYC P01106 2/20 0.37
LMNA P02545 1/20 0.37
NFKB1 P19838 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
SCHEMBL4892927 0.81 MYC (0.49) POLBALDH1A1KDM4EHPGDMYC
SCHEMBL4895914 0.79 MYC (0.42) ALDH1A1MAPTRAB9AKDM4ENPC1
SCHEMBL4638617 0.77 HTT (0.46) CA12CA1CA2CA7CA9
SCHEMBL4893947 0.77 KDM4E (0.52) ALDH1A1MAPTKDM4EHPGDMYC
SCHEMBL2025180 0.75 TAS2R14 (0.47) ALDH1A1HPGD
SCHEMBL2027292 0.75 NR3C2 (0.55) CA1CA2CA9ALDH1A1MAPT
SCHEMBL4896916 0.75 MCL1 (0.41) POLBALDH1A1MAPTKDM4EMYC
SCHEMBL4888733 0.74 BRD4 (0.50) POLBALDH1A1GAA
SCHEMBL1899355 0.74 POLB (0.53) POLBCA12CA1CA2CA4
SCHEMBL4783866 0.73 IRAK4 (0.43) CA1CA2CA7CA9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1773768-B1 PYRROLE DERIVATIVES AS PHARMACEUTICAL AGENTS EXELIXIS INC (US) 2018-08-22 EP disclosed
EP-1844020-B1 HETEROCYCLIC CARBOXAMIDE COMPOUNDS AS STEROID NUCLEAR RECEPTOR LIGANDS EXELIXIS INC (US) 2017-09-06 EP disclosed
US-8367667-B2 Pyrrole derivatives as pharmaceutical agents EXELIXIS, INC. (US) 2013-02-05 US disclosed
US-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2011-12-08 US disclosed
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents EXELIXIS, INC. (US) 2008-09-25 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 (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-20110301128-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 POLB 2744/4885CA12 3901/4885CA1 2327/4885
US-20080234270-A1 Pyrrole Derivatives As Pharmaceutical Agents PRLHR, PTGDR, TACR1 POLB 2744/4885CA12 3901/4885CA1 2327/4885

“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.