SCHEMBL13488121

SCHEMBL13488121

Cc1ccc2c(c1)S(=O)(=O)NCC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
PARP10 Q53GL7 2/20 0.45
PARP1 P09874 1/20 0.45
GRIA2 P42262 4/20 0.44
PARP11 Q9NR21 1/20 0.41
CA12 O43570 1/20 0.40
CA4 P22748 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
AOC3 Q16853 1/20 0.36
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
HSD17B10 Q99714 1/20 0.35
KEAP1 Q14145 1/20 0.34
PTPN7 P35236 1/20 0.34
BRD4 O60885 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
SCHEMBL30485944 0.86 CA1 (0.49) CA1CA2PARP10PARP1GRIA2
SCHEMBL21266522 0.86 CA1 (0.49) CA1CA2PARP10PARP1GRIA2
SCHEMBL12241450 0.81 CA1 (0.47) CA1CA2PARP10PARP1GRIA2
SCHEMBL5621178 0.80 GRIA2 (0.59) GRIA2AOC3ALDH1A1
SCHEMBL8168535 0.78 HPGD (0.37) HTR1ADRD2HTR2AAOC3KDM4E
SCHEMBL5184891 0.78 GRIA2 (0.45) CA1CA2GRIA2CA12CA4
SCHEMBL21540297 0.76 CA1 (0.46) CA1CA2PARP10PARP1GRIA2
SCHEMBL13361309 0.74 AOC3 (0.37) HTR1ADRD2HTR2AAOC3ALDH1A1
SCHEMBL21533327 0.74 PARP10 (0.44) CA1CA2PARP10PARP1GRIA2
SCHEMBL12582261 0.74 CA1 (0.50) CA1CA2PARP10PARP1GRIA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113912597-B ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2023-06-13 CN disclosed
CN-113912597-A ROR gamma inhibitor, preparation method and medical application thereof 赛诺哈勃药业(成都)有限公司 2022-01-11 CN disclosed
US-8420830-B2 Macrocyclic factor VIIa inhibitors useful as anticoagulants BRISTOL-MYERS SQUIBB COMPANY (US) 2013-04-16 US disclosed
US-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS BRISTOL-MYERS SQUIBB COMPANY 2010-02-18 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 (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-20100041664-A1 BICYCLIC LACTAM FACTOR VIIA INHIBITORS USEFUL AS ANTICOAGULANTS F7, F8, F9 CA1 1887/4885CA2 2807/4885PARP10 1761/4885

“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.