SCHEMBL20031628

SCHEMBL20031628

O=C(c1csc(C2CCCCCCCCC2)n1)C1CCCCCCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 5/20 0.43
PIM3 Q86V86 5/20 0.43
PIM2 Q9P1W9 5/20 0.43
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 4/20 0.39
ALDH1A1 P00352 2/20 0.38
LDHA P00338 1/20 0.38
NPC1 O15118 3/20 0.35
DNM1L O00429 1/20 0.35
SRD5A2 P31213 1/20 0.35
HPGD P15428 1/20 0.34
S1PR3 Q99500 2/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 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
SCHEMBL19929684 1.00 PIM1 (0.43) PIM1PIM3PIM2RAB9ASMN1; SMN2
SCHEMBL20850964 1.00 PIM1 (0.43) PIM1PIM3PIM2RAB9ASMN1; SMN2
SCHEMBL19929685 1.00 PIM1 (0.43) PIM1PIM3PIM2RAB9ASMN1; SMN2
SCHEMBL18601672 1.00 PIM1 (0.43) PIM1PIM3PIM2RAB9ASMN1; SMN2
SCHEMBL996815 0.83 LDHA (0.51) PIM1PIM3PIM2SMN1; SMN2ALDH1A1
SCHEMBL11912169 0.82 PIM1 (0.44) PIM1PIM3PIM2RAB9ASMN1; SMN2
SCHEMBL28264041 0.82 PIM1 (0.46) PIM1PIM3PIM2RAB9AALDH1A1
SCHEMBL2554941 0.82 PIM1 (0.46) PIM1PIM3PIM2RAB9AALDH1A1
SCHEMBL1247127 0.81 LDHA (0.49) PIM1PIM3PIM2SMN1; SMN2ALDH1A1
SCHEMBL2143075 0.78 CASP8 (0.47) PIM1PIM3PIM2SMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10301285-B2 Compounds for treatment of cancer GTX, INC. (US) 2019-05-28 US disclosed
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER ONCTERNAL THERAPEUTICS, INC 2018-04-05 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-10301285-B2 Compounds for treatment of cancer CYP19A1, CYP17A1, SOX18 PIM1 3991/4885PIM3 3674/4885PIM2 3413/4885
US-20180093971-A1 COMPOUNDS FOR TREATMENT OF CANCER CYP19A1, CYP17A1, SOX18 PIM1 3991/4885PIM3 3674/4885PIM2 3413/4885

“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.