SCHEMBL19870697

SCHEMBL19870697

CS(=O)(=O)c1ccc(C2CCCC(O)C2)c2c1[C@H](O)C(F)(F)C2

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
VEGFA P15692 9/20 0.49
EPAS1 Q99814 15/20 0.46
ARNT P27540 5/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43

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
SCHEMBL18067969 1.00 VEGFA (0.49) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL18163795 0.87 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL21080634 0.87 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL18067967 0.87 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL19870708 0.87 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL19858582 0.87 EPAS1 (0.52) VEGFAEPAS1
SCHEMBL19858573 0.76 ARNT (0.31) EPAS1ARNT
SCHEMBL20315393 0.74 VEGFA (0.62) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL19870698 0.74 VEGFA (0.58) VEGFAEPAS1ARNTCYP2C9CYP2C19
SCHEMBL22473050 0.73 EPAS1 (0.38) VEGFAEPAS1ARNT

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-20180177754-A1 COMPOSITIONS FOR USE IN TREATING PULMONARY ARTERIAL HYPERTENSION PELOTON THERAPEUTICS, INC. 2018-06-28 US disclosed
US-20180162807-A1 AROMATIC COMPOUNDS AND USES THEREOF PELOTON THERAPEUTICS, INC. 2018-06-14 US disclosed
US-20180140569-A1 COMBINATION THERAPY OF A HIF-2-ALPHA INHIBITOR AND AN IMMUNOTHERAPEUTIC AGENT AND USES THEREOF PELOTON THERAPEUTICS, INC. (US) 2018-05-24 US disclosed
US-20180042884-A1 COMPOSITIONS FOR USE IN TREATING GLIOBLASTOMA PELOTON THERAPEUTICS, INC. 2018-02-15 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 (4 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-20180042884-A1 COMPOSITIONS FOR USE IN TREATING GLIOBLASTOMA MGMT, NEFM, TUBB3 VEGFA 189/4885EPAS1 2505/4885ARNT 4465/4885
US-20180140569-A1 COMBINATION THERAPY OF A HIF-2-ALPHA INHIBITOR AND AN IMMUNOTHERAPEUTIC AGENT AND USES THEREOF HIF1AN, HIF1A, EGLN2 VEGFA 89/4885EPAS1 15/4885ARNT 22/4885
US-20180177754-A1 COMPOSITIONS FOR USE IN TREATING PULMONARY ARTERIAL HYPERTENSION MYLK, TNNI3, PDE2A VEGFA 34/4885EPAS1 450/4885ARNT 3089/4885
US-20180162807-A1 AROMATIC COMPOUNDS AND USES THEREOF HIF1A, HIF1AN, VHL VEGFA 419/4885EPAS1 13/4885ARNT 6/4885

“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.