SCHEMBL12995382

SCHEMBL12995382

CCOc1ccc2c(S(=O)(=O)NC3CC3)c(-c3ccc(NC(=O)NC4CCC4)cc3)n(C3CCC3)c2c1

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
MAPT P10636 3/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
TP53 P04637 4/20 0.42
LMNA P02545 3/20 0.42
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
EPHX2 P34913 3/20 0.39
EPHX1 P07099 1/20 0.39
PKM P14618 2/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
KDR P35968 1/20 0.38
AURKA O14965 1/20 0.38
AURKB Q96GD4 1/20 0.38

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
SCHEMBL12995376 0.91 NPC1 (0.52) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL12995083 0.88 TP53 (0.42) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL12995257 0.87 TP53 (0.41) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL10096133 0.86 NPC1 (0.54) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL12995383 0.86 NPC1 (0.56) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL12995380 0.85 EPHX2 (0.38) EPHX2ALDH1A1GAAAURKAAURKB
SCHEMBL12995372 0.85 RAB9A (0.53) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL12995334 0.85 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL12995348 0.85 NPC1 (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL13152679 0.85 NPC1 (0.53) NPC1RAB9AMAPTSMN1; SMN2TP53

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-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C PTC THERAPEUTICS, INC. (US) 2010-12-02 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-7772271-B2 Methods for treating hepatitis C PTC THERAPEUTICS, INC. (US) 2010-08-10 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 US disclosed
US-20070299068-A1 Methods for treating hepatitis C PTC THERAPEUTICS, INC. 2007-12-27 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-20070299068-A1 Methods for treating hepatitis C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885MAPT 4477/4885
US-20100305100-A1 METHODS FOR TREATING HEPATITIS C HAVCR2, EIF2AK2, MAVS NPC1 87/4885RAB9A 2829/4885MAPT 4477/4885

“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.