SCHEMBL21894574

SCHEMBL21894574

CS(=O)(=O)N1CCC(O)(c2cc(Cl)cc3[nH]ncc23)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 2/20 0.39
IDO1 P14902 2/20 0.38
TDO2 P48775 2/20 0.38
METAP2 P50579 1/20 0.35
ALDH1A1 P00352 3/20 0.35
MCHR1 Q99705 1/20 0.35
USP2 O75604 1/20 0.34
CYP3A4 P08684 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
FPR2 P25090 1/20 0.34
PROKR1 Q8TCW9 1/20 0.34
CCNT1 O60563 1/20 0.34
CDK9 P50750 1/20 0.34
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HIF1A Q16665 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
SCHEMBL17738829 0.86 IDO1 (0.38) CYP11B2IDO1TDO2METAP2ALDH1A1
SCHEMBL30602763 0.84 PSEN1 (0.37) CYP11B2IDO1TDO2METAP2
SCHEMBL22584186 0.84 PSEN1 (0.37) CYP11B2IDO1TDO2METAP2
SCHEMBL29092532 0.84 PSEN1 (0.37) CYP11B2IDO1TDO2METAP2
SCHEMBL29092530 0.84 PSEN1 (0.37) CYP11B2IDO1TDO2METAP2
SCHEMBL22584192 0.84 PSEN1 (0.37) CYP11B2IDO1TDO2METAP2
SCHEMBL22584189 0.84 PSEN1 (0.37) CYP11B2IDO1TDO2METAP2
SCHEMBL20938995 0.82 METAP2 (0.45) IDO1TDO2METAP2
SCHEMBL30602739 0.82 METAP2 (0.45) IDO1TDO2METAP2
SCHEMBL20002263 0.81 CYP11B2 (0.39) CYP11B2IDO1TDO2ALDH1A1MCHR1

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-11130738-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2021-09-28 US disclosed
US-20200172492-A1 PHARMACEUTICAL COMPOUND IOMET PHARMA LTD. (GB) 2020-06-04 US disclosed
US-10590086-B2 Pharmaceutical compound IOMET PHARMA LTD. (GB) 2020-03-17 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 (3 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-11130738-B2 Pharmaceutical compound IDO1, TDO2, IDO2 CYP11B2 107/4885IDO1 1/4885TDO2 2/4885
US-20200172492-A1 PHARMACEUTICAL COMPOUND IDO1, TDO2, IDO2 CYP11B2 107/4885IDO1 1/4885TDO2 2/4885
US-10590086-B2 Pharmaceutical compound IDO1, TDO2, IDO2 CYP11B2 107/4885IDO1 1/4885TDO2 2/4885

“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.