SCHEMBL17716550

SCHEMBL17716550

Cc1c(-c2cccc(C#N)c2)c(=O)oc2c(F)c(O)c(F)cc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ERAP1 Q9NZ08 1/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ CNR2 P34972 1/20 0.38
▸ PGR P06401 3/20 0.36
▸ FNTA P49354 2/20 0.35
▸ FNTB P49356 2/20 0.35
▸ KDM4E B2RXH2 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ NPC1 O15118 1/20 0.35
▸ STAT1 P42224 1/20 0.35
▸ RAB9A P51151 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ MAOB P27338 1/20 0.35
▸ XDH P47989 1/20 0.35
▸ SLC22A12 Q96S37 1/20 0.35
▸ ESR1 P03372 1/20 0.35
▸ ESR2 Q92731 1/20 0.35
▸ TGFBR1 P36897 1/20 0.35
▸ HSD17B3 P37058 2/20 0.34
▸ FASN P49327 1/20 0.34

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
SCHEMBL17716552 0.81 MAOB (0.38) ERAP1KCNA3CNR2PGRFNTA
SCHEMBL17716531 0.79 ERAP1 (0.38) ERAP1KCNA3CNR2KDM4EALDH1A1
SCHEMBL17716534 0.78 ERAP1 (0.37) ERAP1KCNA3CNR2KDM4EALDH1A1
SCHEMBL8571644 0.76 KDM4E (0.51) ERAP1CNR2KDM4EALDH1A1NPC1
SCHEMBL13177605 0.75 KDM4E (0.48) ERAP1CNR2KDM4EALDH1A1KMT2A
SCHEMBL17716548 0.72 ERAP1 (0.50) ERAP1KCNA3PGRKDM4EALDH1A1
SCHEMBL19085443 0.71 KDM4E (0.41) ERAP1CNR2KDM4EALDH1A1KMT2A
SCHEMBL17716549 0.70 KDM4E (0.66) ERAP1CNR2KDM4EALDH1A1KMT2A
SCHEMBL17716545 0.68 USP2 (0.46) KCNA3KDM4EALDH1A1NPC1RAB9A
SCHEMBL16645386 0.68 KDM4E (0.56) ERAP1CNR2KDM4EALDH1A1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200188535-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION 2020-06-18 — — US disclosed
US-20160121002-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION (US) 2016-05-05 — — US disclosed
US-20160121002-A1 Bioorthogonal Turn-on Probes THE GENERAL HOSPITAL CORPORATION (US) 2016-05-05 — — 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-20160121002-A1 Bioorthogonal Turn-on Probes MPI, TIPRL, BAZ1A ERAP1 3627/4885KCNA3 4446/4885CNR2 4048/4885
US-20200188535-A1 Bioorthogonal Turn-on Probes ZYX, MPI, BAZ1A ERAP1 3604/4885KCNA3 4294/4885CNR2 4115/4885

“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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