SCHEMBL15670498

SCHEMBL15670498

O=C(CCl)NC[C@@H](Cc1ccccc1)NC(=O)CCl

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.59
HTT P42858 1/20 0.59
NCOA1 Q15788 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
NCOA3 Q9Y6Q9 1/20 0.59
MME P08473 2/20 0.51
MMP2 P08253 2/20 0.48
CTRB1 P17538 1/20 0.44
OPRM1 P35372 1/20 0.44
CTSG P08311 1/20 0.44
CMA1 P23946 1/20 0.44
HPGD P15428 1/20 0.44
CYP3A4 P08684 1/20 0.43
MAPK1 P28482 1/20 0.43
LMNA P02545 1/20 0.43
ATM Q13315 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
SCHEMBL17138022 1.00 ALDH1A1 (0.59) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL1177696 0.84 ALDH1A1 (0.62) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL181277 0.81 MME (0.51) MMEMMP2CTRB1HPGDCYP3A4
SCHEMBL18577077 0.81 MME (0.47) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL18577075 0.81 MME (0.47) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL11884009 0.77 CTRB1 (0.49) MMEMMP2CTRB1OPRM1CYP3A4
SCHEMBL995228 0.76 ALDH1A1 (0.64) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL995229 0.76 ALDH1A1 (0.64) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL6293500 0.76 ALDH1A1 (0.64) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3
SCHEMBL2636079 0.75 ALDH1A1 (0.51) ALDH1A1HTTNCOA1SMN1; SMN2NCOA3

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-9701684-B2 Chiral fluorinating reagents OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2017-07-11 US disclosed
US-20150284401-A1 CHIRAL FLUORINATING REAGENTS OXFORD UNIVERSITY INNOVATION LIMITED (GB) 2015-10-08 US disclosed
EP-2914582-A2 CHIRAL FLUORINATING REAGENTS Isis Innovation Limited (GB) 2015-09-09 EP disclosed
WO-2014068341-A2 CHIRAL FLUORINATING REAGENTS ISIS INNOVATION LIMITED (GB) 2014-05-08 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-20150284401-A1 CHIRAL FLUORINATING REAGENTS TIAM1, AFF2, AFF1 ALDH1A1 800/4885HTT 2700/4885NCOA1 1816/4885

“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.