SCHEMBL15345161

SCHEMBL15345161

Cc1ccnc(-c2ccc3c(c2)NC(=O)CO3)c1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP12 P39900 1/20 0.63
KDM4E B2RXH2 5/20 0.63
RAB9A P51151 3/20 0.63
NPC1 O15118 2/20 0.63
SMN1; SMN2 Q16637 1/20 0.62
MAPT P10636 9/20 0.58
ALDH1A1 P00352 4/20 0.57
HPGD P15428 2/20 0.56
POLB P06746 2/20 0.54
NR3C2 P08235 5/20 0.53
PDE3B Q13370 1/20 0.51
PDE3A Q14432 1/20 0.51
KMT2A Q03164 1/20 0.51
PGR P06401 1/20 0.51
NR3C1 P04150 1/20 0.51

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
SCHEMBL15344952 0.90 CYP11B1 (0.55) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL15341904 0.84 ALDH1A1 (0.54) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL12405077 0.82 MAPT (0.58) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL30648411 0.81 MAPT (0.57) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL15345045 0.80 MMP12 (0.46) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL19188055 0.79 MMP12 (0.77) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL279594 0.79 MMP12 (1.00) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL4267366 0.79 MMP12 (0.70) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14423372 0.78 KDM4E (0.53) MMP12KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL14423371 0.78 KDM4E (0.55) MMP12KDM4ERAB9ANPC1SMN1; SMN2

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
EP-3070081-B1 BENZOTHIAZOL-6-YL ACETIC ACID DERIVATIVES AND THEIR USE FOR TREATING AN HIV INFECTION GILEAD SCIENCES INC (US) 2018-02-28 EP disclosed
US-20160015690-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2016-01-21 US disclosed
US-8987250-B2 Therapeutic compounds GILEAD SCIENCES, INC. (US) 2015-03-24 US disclosed
US-20130281433-A1 THERAPEUTIC COMPOUNDS GILEAD SCIENCES, INC. 2013-10-24 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-20160015690-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MMP12 2156/4885KDM4E 4221/4885RAB9A 181/4885
US-20130281433-A1 THERAPEUTIC COMPOUNDS NQO1, HAVCR2, CCR5 MMP12 2156/4885KDM4E 4221/4885RAB9A 181/4885

“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.