SCHEMBL23113223

SCHEMBL23113223

Nc1cc(C(F)(F)F)cc(C2(O)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ OPRL1 P41146 7/20 0.38
▸ NR2E1 Q9Y466 1/20 0.36
▸ CAMK1D Q8IU85 2/20 0.35
▸ OPRM1 P35372 5/20 0.35
▸ OPRK1 P41145 3/20 0.35
▸ OPRD1 P41143 3/20 0.35
▸ KDM1A O60341 2/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ HDAC3 O15379 1/20 0.34
▸ HDAC1 Q13547 1/20 0.34
▸ HDAC2 Q92769 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ S1PR2 O95136 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
SCHEMBL23113422 0.81 POLB (0.36) OPRL1CAMK1DOPRM1OPRK1
SCHEMBL22497923 0.78 NOTUM (0.40) OPRL1OPRM1OPRK1OPRD1HDAC3
SCHEMBL18726215 0.77 OPRL1 (0.43) OPRL1OPRM1OPRK1OPRD1SLC6A4
SCHEMBL2269182 0.74 TSHR (0.46) TSHROPRL1OPRM1SLC6A4HDAC3
SCHEMBL23113569 0.74 TSHR (0.35) TSHRMAPK1NR2E1KDM1ASLC6A4
SCHEMBL130383 0.72 TSHR (0.56) TSHRMAPK1NR2E1
SCHEMBL394717 0.72 TSHR (0.56) TSHRMAPK1NR2E1
SCHEMBL31557722 0.72 OPRL1 (0.62) OPRL1OPRM1OPRK1OPRD1KDM1A
SCHEMBL30697726 0.71 OPRL1 (0.40) OPRL1OPRM1OPRK1OPRD1SLC6A4
SCHEMBL26929228 0.71 OPRL1 (0.40) OPRL1OPRM1OPRK1OPRD1SLC6A4

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-11530193-B2 Kinase inhibitors THE UNIVERSITY OF MANCHESTER (GB) 2022-12-20 — — US disclosed
EP-3793996-A1 KINASE INHIBITORS The University of Manchester (GB) 2021-03-24 — — EP disclosed
CN-112119077-A Kinase inhibitors 曼彻斯特大学 2020-12-22 — — CN 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-11530193-B2 Kinase inhibitors CAMKK2, CAMK1, CAMKK1 TSHR 3310/4885MAPK1 89/4885OPRL1 4004/4885

“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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