SCHEMBL16639680

SCHEMBL16639680

CC(C)SCc1nc2ccc(C(C)C)cc2nc1CSC(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 5/20 0.38
RAB9A P51151 5/20 0.38
SCN4A P35499 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
TYR P14679 1/20 0.34
MEN1 O00255 4/20 0.34
KMT2A Q03164 4/20 0.34
ALDH1A1 P00352 3/20 0.34
KDM4E B2RXH2 2/20 0.34
TP53 P04637 2/20 0.34
MAPT P10636 2/20 0.34
HSD17B10 Q99714 1/20 0.34
GAA P10253 2/20 0.33
HTT P42858 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2E1 P05181 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL24115646 0.94 NPC1 (0.41) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL18866930 0.85 NPC1 (0.39) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL2706284 0.78 NPC1 (0.50) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL12938128 0.78 NPC1 (0.50) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL19841674 0.77 NPC1 (0.34) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL20880273 0.76 NQO2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL23739009 0.76 NQO2 (0.43) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL16639705 0.74 NPC1 (0.47) NPC1RAB9ASMN1; SMN2MEN1KMT2A
SCHEMBL18855039 0.74 RAB9A (0.41) NPC1RAB9ASCN4ASMN1; SMN2TYR
SCHEMBL19841535 0.73 NPC1 (0.41) NPC1RAB9ASCN4ASMN1; SMN2TYR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10967071-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2021-04-06 US disclosed
US-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF SORRENTO THERAPEUTICS, INC. 2018-03-29 US disclosed
US-9884127-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2018-02-06 US disclosed
US-9801951-B2 Drug-conjugates, conjugation methods, and uses thereof CONCORTIS BIOSYSTEMS, CORP. (US) 2017-10-31 US disclosed
US-20170137539-A1 CHEMICALLY-LOCKED BISPECIFIC ANTIBODIES SORRENTO THERAPEUTICS, INC. 2017-05-18 US disclosed
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned subsidary of Sorrento Therapeutics, Inc, (US) 2015-05-21 US disclosed
US-20150105539-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof Concortis Biosystems, Corp., a wholly owned Subsidiary of Sorrento Therapeutics, Inc. (US) 2015-04-16 US disclosed
US-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS SORRENTO THERAPEUTICS INC. (US) 2015-04-16 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 (6 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-20180085471-A1 DRUG-CONJUGATES, CONJUGATION METHODS, AND USES THEREOF ABCG2, UGT2B7, UGT1A9 NPC1 330/4885RAB9A 764/4885SCN4A 4641/4885
US-20150141646-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof ABCG2, UGT2B7, UGT1A9 NPC1 330/4885RAB9A 764/4885SCN4A 4641/4885
US-20170137539-A1 CHEMICALLY-LOCKED BISPECIFIC ANTIBODIES CD274, CD47, CD22 NPC1 3711/4885RAB9A 3098/4885SCN4A 4323/4885
US-10967071-B2 Drug-conjugates, conjugation methods, and uses thereof PAICS, CES2, DNPEP NPC1 635/4885RAB9A 1067/4885SCN4A 4702/4885
US-20150105539-A1 Drug-Conjugates, Conjugation Methods, and Uses Thereof PAICS, CES2, DNPEP NPC1 635/4885RAB9A 1067/4885SCN4A 4702/4885
US-20150105540-A1 DRUG-CONJUGATES WITH A TARGETING MOLECULE AND TWO DIFFERENT DRUGS ERBB2, ABCG2, DYNLL2 NPC1 2589/4885RAB9A 627/4885SCN4A 3771/4885

“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.