SCHEMBL21958173

SCHEMBL21958173

CC(=O)N1CCC[C@@H](Nc2cccc(C(F)(F)F)c2)C1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.62
▸ PHGDH O43175 2/20 0.60
▸ EPHX2 P34913 3/20 0.59
▸ BTK Q06187 1/20 0.51
▸ RAB9A P51151 1/20 0.51
▸ MLNR O43193 2/20 0.48
▸ TRPV4 Q9HBA0 1/20 0.48
▸ CCR2 P41597 1/20 0.48
▸ KCNH2 Q12809 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ UBE2M P61081 1/20 0.47
▸ DCUN1D1 Q96GG9 1/20 0.47
▸ GFER P55789 1/20 0.47

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
SCHEMBL21958193 1.00 KMT2A (0.62) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL30027279 0.89 KMT2A (0.60) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL24781682 0.88 EPHX2 (0.60) KMT2APHGDHEPHX2RAB9AMLNR
SCHEMBL25785164 0.88 EPHX2 (0.61) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL25785151 0.88 EPHX2 (0.61) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL21958715 0.86 TEAD1 (0.62) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL21958750 0.86 TEAD1 (0.62) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL24781306 0.86 KMT2A (0.59) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL30028550 0.86 KMT2A (0.59) KMT2APHGDHEPHX2BTKRAB9A
SCHEMBL17927228 0.86 KMT2A (0.59) KMT2APHGDHEPHX2BTKRAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2022-12-22 — — US disclosed
WO-2020081572-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF DANA-FARBER CANCER INSTITUTE, INC. (US) 2020-04-23 — — 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-20220402869-A1 TRANSCRIPTIONAL ENHANCED ASSOCIATE DOMAIN (TEAD) TRANSCRIPTION FACTOR INHIBITORS AND USES THEREOF TEAD1, TEAD4, TEAD2 KMT2A 2881/4885PHGDH 2187/4885EPHX2 2437/4885

“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.

Send feedback