SCHEMBL316549

SCHEMBL316549

O=C(CC(F)(F)F)NNC(=O)C1CCN(C(=O)O)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.37
LMNA P02545 2/20 0.37
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 3/20 0.34
ALDH1A1 P00352 4/20 0.34
CYP2C19 P33261 2/20 0.34
NPSR1 Q6W5P4 1/20 0.34
YAP1 P46937 1/20 0.33
TEAD4 Q15561 1/20 0.33
HTT P42858 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
TSHR P16473 1/20 0.33
MEN1 O00255 2/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
KDM5A P29375 1/20 0.32
ITGB3 P05106 1/20 0.32

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
SCHEMBL8284375 0.82 KMT2A (0.55) KMT2ANPC1RAB9A
SCHEMBL4782482 0.81 CYP2C19 (0.37) KDM4ELMNAGAAKMT2AALDH1A1
SCHEMBL16399800 0.80 KMT2A (0.41) KDM4ELMNAPOLBGAAKMT2A
SCHEMBL9933948 0.76
SCHEMBL9933947 0.76
SCHEMBL443195 0.74 GAA (0.37) GAAALDH1A1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL443194 0.74 GAA (0.37) GAAALDH1A1CYP2C19SMN1; SMN2CYP3A4
SCHEMBL16401131 0.74 KMT2A (0.40) KDM4ELMNAGAAKMT2AALDH1A1
SCHEMBL314394 0.74 ALDH1A1 (0.41) KDM4ELMNAPOLBGAAKMT2A
SCHEMBL316688 0.72 KDM4E (0.43) KDM4ELMNAKMT2AALDH1A1CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8093400-B2 Compounds useful in therapy PFIZER INC. (US) 2012-01-10 US disclosed
US-20100317652-A1 Compounds Useful In Therapy PFIZER INC 2010-12-16 US disclosed
US-7745630-B2 Triazolyl piperidine arginine vasopressin receptor modulators BRYANS JUSTIN STEPHEN 2010-06-29 US disclosed
EP-1701959-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS Pfizer Limited (GB) 2006-09-20 EP disclosed
WO-2005063754-A1 TRIAZOLE DERIVATIVES AS VASOPRESSIN ANTAGONISTS PFIZER LIMITED (GB) 2005-07-14 WO disclosed
US-20050154024-A1 Compounds useful in therapy PFIZER INC 2005-07-14 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-20050154024-A1 Compounds useful in therapy PTGER4, PTGER3, ALOX5 KDM4E 3377/4885LMNA 2443/4885POLB 2941/4885
US-20100317652-A1 Compounds Useful In Therapy AVPR1A, AVPR1B, AVPR2 KDM4E 954/4885LMNA 1738/4885POLB 3375/4885

“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.