SCHEMBL15834243

SCHEMBL15834243

COc1cc2cc(Cl)nc(OS(=O)(=O)C(F)(F)F)c2cc1OC

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE3B Q13370 1/20 0.35
▸ PDE3A Q14432 1/20 0.35
▸ TRPA1 O75762 2/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SPR P35270 1/20 0.33
▸ SCN9A Q15858 1/20 0.33
▸ EGFR P00533 3/20 0.32
▸ ALDH1A1 P00352 3/20 0.32
▸ POLB P06746 2/20 0.32
▸ MAPT P10636 1/20 0.32
▸ KDM4E B2RXH2 3/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ WHR1 P49842 1/20 0.31
▸ KDR P35968 3/20 0.31
▸ KMT2A Q03164 2/20 0.31
▸ LMNA P02545 1/20 0.31

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
SCHEMBL25267484 0.78 CYP3A4 (0.53) PDE3BPDE3ATRPA1CYP1A2CYP3A4
SCHEMBL31554433 0.75 PDE3B (0.40) PDE3BPDE3AEGFRALDH1A1POLB
SCHEMBL152920 0.74 KDM4E (0.42) PDE3BPDE3AALDH1A1POLBMAPT
SCHEMBL30485653 0.74 PTGS2 (0.34) ALDH1A1MAPTSMN1; SMN2KDRKMT2A
SCHEMBL22573256 0.74 PTGS2 (0.34) ALDH1A1MAPTSMN1; SMN2KDRKMT2A
SCHEMBL31729210 0.73 CCR4 (0.35) SCN9AADORA2AADORA1
SCHEMBL4656873 0.72 PDE10A (0.40) —
SCHEMBL8499741 0.70 KDM4E (0.49) EGFRALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL25547523 0.70 ENPP1 (0.42) PDE3BPDE3ACYP3A4CYP2C9CYP2C19
SCHEMBL22573233 0.70 PDE4A (0.42) POLBKMT2AHPGDADORA2AADORA1

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-9868707-B2 Small molecule agonists of neurotensin receptor 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2018-01-16 — — US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 — — US disclosed
US-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 DUKE UNIVERSITY (US) 2015-11-19 — — US disclosed
WO-2014100501-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 SANFORD-BURNHAM MEDICAL RESEARCH INSTITUTE (US) 2014-06-26 — — 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-20150329497-A1 SMALL MOLECULE AGONISTS OF NEUROTENSIN RECEPTOR 1 NTSR1, NTSR2, VIPR1 PDE3B 1119/4885PDE3A 1122/4885TRPA1 504/4885

“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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