SCHEMBL3708718

SCHEMBL3708718

CCCCC(=O)C(Cc1ccc(Br)cc1)C(=O)OC

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HDAC1 Q13547 2/20 0.50
HDAC6 Q9UBN7 2/20 0.50
PTPRB P23467 1/20 0.44
ESR1 P03372 1/20 0.41
ESR2 Q92731 1/20 0.41
ALDH1A1 P00352 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
PPARG P37231 3/20 0.40
PPARD Q03181 3/20 0.40
PPARA Q07869 3/20 0.40
KMT2A Q03164 1/20 0.39
MMP8 P22894 1/20 0.39
LDHA P00338 1/20 0.39
POLB P06746 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
RAB9A P51151 1/20 0.38
MGLL Q99685 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
SCHEMBL8671873 0.86 PTPRB (0.44) HDAC1HDAC6PTPRBESR1ESR2
SCHEMBL9567773 0.85 MME (0.46) HDAC1HDAC6PPARGPPARAKMT2A
SCHEMBL6946548 0.83 PTPRB (0.58) HDAC1HDAC6PTPRBESR1ESR2
SCHEMBL19073668 0.81 NPC1 (0.45) PTPRBESR1ESR2ALDH1A1CYP3A4
SCHEMBL9710075 0.80 MMP8 (0.50) HDAC1HDAC6ALDH1A1CYP2C9KMT2A
SCHEMBL18931725 0.79 PTPRB (0.46) PTPRBESR1ESR2ALDH1A1CYP3A4
SCHEMBL8671881 0.77 LTB4R2 (0.57)
SCHEMBL9024939 0.77 LTB4R2 (0.58)
SCHEMBL2428654 0.76 EPHX2 (0.47) KMT2A
SCHEMBL633444 0.75 MME (0.48) HDAC1HDAC6ESR2PPARG

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-2471782-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME Kowa Company, Ltd. (JP) 2012-07-04 EP disclosed
US-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME KOWA COMPANY, LTD. (JP) 2012-05-17 US disclosed
US-5804583-A Pyrimidinone derivatives fused to nitrogen heterocycles having a II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA (IT) 1998-09-08 US disclosed
EP-0680480-B1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY LUSO FARMACO INST (IT) 1997-07-30 EP disclosed
EP-0680480-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY. LUSO FARMACO INST (IT) 1995-11-08 EP disclosed
US-5430149-A 5-[(4-bromophenyl)methyl]4-pyrimidinones SYNTHELABO (FR) 1995-07-04 US disclosed
WO-1994017067-A1 PYRIMIDINONE DERIVATIVES FUSED TO NITROGEN HETEROCYCLES HAVING A II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1994-08-04 WO disclosed
US-5312920-A Process for preparing 4-pyrimidinones SYNTHELABO (FR) 1994-05-17 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-20120122906-A1 NOVEL SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL PRODUCT CONTAINING SAME AGTR2, AGTR1, PPARA HDAC1 479/4885HDAC6 1201/4885PTPRB 2263/4885

“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.