SCHEMBL12413849

SCHEMBL12413849

Cc1ccc([C@@H](O)[C@@H](CF)NC(=O)C(Cl)Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.71
CYP3A4 P08684 3/20 0.71
MEN1 O00255 2/20 0.71
KMT2A Q03164 2/20 0.71
TSHR P16473 2/20 0.53
SMN1; SMN2 Q16637 4/20 0.50
ALDH1A1 P00352 3/20 0.50
MARS2 Q96GW9 1/20 0.50
CYP2C19 P33261 1/20 0.50
RPLP1 P05386 1/20 0.46
RPLP0 P05388 1/20 0.46
RPS17 P08708 1/20 0.46
RPSA P08865 1/20 0.46
RPS2 P15880 1/20 0.46
RPL35A P18077 1/20 0.46
RPL7 P18124 1/20 0.46
RPL17 P18621 1/20 0.46
RPS4Y1 P22090 1/20 0.46
RPS3 P23396 1/20 0.46
RPS12 P25398 1/20 0.46

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
SCHEMBL19828494 0.88 LMNA (0.56) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL1753533 0.86 LMNA (0.70) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL9092856 0.85 LMNA (0.67) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL14183019 0.85 LMNA (0.67) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL14880947 0.85 LMNA (0.67) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL12494026 0.85 LMNA (0.67) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL12683627 0.85 LMNA (0.67) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL14568970 0.84 LMNA (0.66) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL7091990 0.84 LMNA (0.66) LMNACYP3A4MEN1KMT2ATSHR
SCHEMBL14880788 0.84 LMNA (0.70) LMNACYP3A4MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130203857-A1 Pharmaceutical Compositions for the Treatment of Bacterial Infections NANOCORE BIOTECNOLOGIA S.A. (BR) 2013-08-08 US disclosed
US-20130203858-A1 Fast-Dissolving Solid Pharmaceutical Form for Treating Bacterial Infections NANOCORE BIOTECNOLOGIA S.A. (BR) 2013-08-08 US disclosed
US-8314252-B2 Process for preparing oxazoline-protected aminodiol compounds useful as intermediates to florfenicol INTERVET INC. (US) 2012-11-20 US disclosed
WO-2012125832-A2 ANTIMICROBIAL AGENTS RIB-X PHARMACEUTICALS, INC. (US) 2012-09-20 WO disclosed
US-20110166359-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL INTERVET INTERNATIONAL B.V. (NL) 2011-07-07 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 (3 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-20130203857-A1 Pharmaceutical Compositions for the Treatment of Bacterial Infections IL5, MYD88, TLR5 LMNA 3468/4885CYP3A4 337/4885MEN1 2267/4885
US-20110166359-A1 PROCESS FOR PREPARING OXAZOLINE-PROTECTED AMINODIOL COMPOUNDS USEFUL AS INTERMEDIATES TO FLORFENICOL PFAS, DHFR, OXA1L LMNA 1876/4885CYP3A4 40/4885MEN1 1883/4885
US-20130203858-A1 Fast-Dissolving Solid Pharmaceutical Form for Treating Bacterial Infections CFD, FASTKD5, SYK LMNA 4079/4885CYP3A4 718/4885MEN1 3130/4885

“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.