SCHEMBL957193

SCHEMBL957193

CCCCCc1oc2ccccc2c(=O)c1O

nearest known ligand 0.60

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 3/20 0.53
▸ EYA3 Q99504 2/20 0.53
▸ LMNA P02545 1/20 0.52
▸ HTT P42858 1/20 0.52
▸ CYP2C9 P11712 4/20 0.52
▸ TTR P02766 1/20 0.52
▸ PPARG P37231 1/20 0.50
▸ NPC1 O15118 1/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ TSHR P16473 1/20 0.48
▸ RAB9A P51151 1/20 0.48

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
SCHEMBL19732866 0.99 PTPN1 (0.52) PTPN1EYA3LMNAHTTCYP2C9
SCHEMBL2536315 0.85 CYP3A4 (0.48) PTPN1LMNAHTTCYP2C9ALDH1A1
SCHEMBL18407426 0.82 PPARG (0.47) PTPN1EYA3CYP2C9TTRPPARG
SCHEMBL18407427 0.82 EYA3 (0.50) PTPN1EYA3CYP2C9TTRPPARG
SCHEMBL18407419 0.82 CYP2C9 (0.58) PTPN1EYA3CYP2C9TTR
SCHEMBL18407429 0.81 EYA3 (0.49) PTPN1EYA3CYP2C9PPARGALDH1A1
SCHEMBL19732865 0.81 PTPN1 (0.51) PTPN1EYA3LMNAHTTTTR
SCHEMBL18222929 0.80 CYP2C9 (0.47) PTPN1EYA3CYP2C9PPARGALDH1A1
SCHEMBL4613473 0.80 PPARG (0.60) PTPN1EYA3LMNACYP2C9PPARG
SCHEMBL27345511 0.79 PTPN1 (0.52) PTPN1EYA3CYP2C9TTRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022165-A1 PQSR MODULATORS HELMHOLTZ-ZENTRUM FUR INFEKTIONSFORSCHUNG GMBH (DE) 2017-01-26 — — US disclosed
US-8372866-B2 2-aryl and 2-heteroaryl 4H-1-benzopyran-4-one-6-amidino derivatives, new pharmacological agents for the treatment of arthritis, cancer and related pain ROTTAPHARM S.P.A. (IT) 2013-02-12 — — US disclosed
EP-2268628-B1 2-ARYL AND 2 -HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM SPA (IT) 2012-05-16 — — EP disclosed
US-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN ROTTAPHARM S.P.A. (IT) 2011-01-06 — — 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-20110003861-A1 2-ARYL AND 2-HETEROARYL 4H-1-BENZOPYRAN-4-ONE-6-AMIDINO DERIVATIVES, NEW PHARMACOLOGICAL AGENTS FOR THE TREATMENT OF ARTHRITIS, CANCER AND RELATED PAIN NAT1, AADAC, OPRL1 PTPN1 3252/4885EYA3 4607/4885LMNA 4430/4885
US-20170022165-A1 PQSR MODULATORS QARS1, SRPRA, MRPS35 PTPN1 648/4885EYA3 3012/4885LMNA 4848/4885

“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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