SCHEMBL19852901

SCHEMBL19852901

CN(c1ccccc1)S(=O)(=O)c1cccc2cnccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 2/20 0.62
ROCK1 Q13464 2/20 0.62
PRKD3 O94806 5/20 0.52
PRKCG P05129 5/20 0.52
PRKCB P05771 5/20 0.52
PRKCA P17252 5/20 0.52
PRKCH P24723 5/20 0.52
PRKCI P41743 5/20 0.52
PRKCE Q02156 5/20 0.52
PRKCQ Q04759 5/20 0.52
PRKCZ Q05513 5/20 0.52
PRKCD Q05655 5/20 0.52
PRKD1 Q15139 5/20 0.52
CYP3A4 P08684 4/20 0.52
CYP2D6 P10635 3/20 0.52
NFKB1 P19838 3/20 0.52
GLA P06280 1/20 0.52
LMNA P02545 2/20 0.51
PMP22 Q01453 1/20 0.51
KMT2A Q03164 3/20 0.50

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
SCHEMBL9016177 0.84 ROCK2 (0.62) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL30539980 0.84 ROCK2 (0.62) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL9541258 0.80 FLT3 (0.62) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL10979885 0.77 ROCK2 (0.55) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL20873436 0.76 PRKCG (0.67) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL10496395 0.76 FLT3 (0.55) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL4729399 0.76 PRKD3 (0.57) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL13677595 0.76 CYP3A4 (0.58) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL9543879 0.75 PRKACA (0.63) ROCK2ROCK1PRKD3PRKCGPRKCB
SCHEMBL6967362 0.75 CYP3A4 (0.59) ROCK2ROCK1PRKD3PRKCGPRKCB

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-10287252-B2 Inhibitors of tryptophan-2,3-dioxygenase or indoleamine-2,3-dioxygenase IOMET PHARMA LTD. (GB) 2019-05-14 US disclosed
US-20180037553-A1 INHIBITORS OF TRYPTOPHAN-2,3-DIOXYGENASE OR INDOLEAMINE-2,3-DIOXYGENASE IOMET PHARMA LTD. (GB) 2018-02-08 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-10287252-B2 Inhibitors of tryptophan-2,3-dioxygenase or indoleamine-2,3-dioxygenase TDO2, IDO2, IDO1 ROCK2 727/4885ROCK1 1270/4885PRKD3 2755/4885
US-20180037553-A1 INHIBITORS OF TRYPTOPHAN-2,3-DIOXYGENASE OR INDOLEAMINE-2,3-DIOXYGENASE TDO2, IDO2, IDO1 ROCK2 727/4885ROCK1 1270/4885PRKD3 2755/4885

“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.