SCHEMBL19781647

SCHEMBL19781647

CCSc1ccc(C(C)=O)cn1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.48
POLB P06746 1/20 0.48
RAB9A P51151 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 2/20 0.46
ALDH1A1 P00352 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDM4E B2RXH2 2/20 0.45
HTT P42858 1/20 0.41
KCNJ1 P48048 1/20 0.41
TP53 P04637 1/20 0.40
CXCR2 P25025 4/20 0.40
CXCR1 P25024 3/20 0.40
MAPT P10636 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
CHRNB2 P17787 1/20 0.38
CHRNA4 P43681 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
SCHEMBL4432631 0.86 ALDH1A1 (0.65) NPC1POLBRAB9ATDP1HPGD
SCHEMBL2715327 0.81 ALDH1A1 (0.42) HPGDALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL9075726 0.81 HPGD (0.68) RAB9AHPGDALDH1A1CYP1A2CYP2C9
SCHEMBL30003977 0.80 KDM4E (0.47) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL24724107 0.80 KDM4E (0.47) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL30003144 0.79 HPGD (0.50) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL1091823 0.79 HPGD (0.50) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL27385633 0.78 HPGD (0.48) NPC1RAB9AHPGDALDH1A1CYP1A2
SCHEMBL1716325 0.78 NPC1 (0.48) NPC1POLBRAB9ATDP1HPGD
SCHEMBL21313793 0.77 NPC1 (0.47) NPC1POLBRAB9ATDP1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2019-05-23 US disclosed
US-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2019-05-23 US disclosed
WO-2018011746-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS CADILA HEALTHCARE LIMITED (IN) 2018-01-18 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-20190152962-A1 CYCLOPROPYL DERIVATIVES AS ROR-GAMMA MODULATORS RORC, RORB, RORA NPC1 645/4885POLB 3719/4885RAB9A 1396/4885

“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.