SCHEMBL5860432

SCHEMBL5860432

Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NC(CCCNC(=N)N)C(=O)c2nc3ccccc3s2)cc1

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.59
TP53 P04637 3/20 0.59
ALOX15 P16050 2/20 0.59
TSHR P16473 2/20 0.59
SMN1; SMN2 Q16637 2/20 0.59
HSD17B10 Q99714 2/20 0.59
USP2 O75604 1/20 0.59
NPSR1 Q6W5P4 1/20 0.59
F2 P00734 2/20 0.51
GAA P10253 1/20 0.50
FKBP1A P62942 1/20 0.50
CASP1 P29466 1/20 0.49
CASP7 P55210 1/20 0.49
POLB P06746 1/20 0.49
MAPT P10636 1/20 0.49
MAPK1 P28482 1/20 0.49
PRSS1 P07477 1/20 0.46
TPSAB1 Q15661 1/20 0.46

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
SCHEMBL5862702 0.90 F2 (0.56) F2PRSS1TPSAB1
SCHEMBL5860447 0.88 LMNA (0.59) LMNATP53ALOX15TSHRSMN1; SMN2
SCHEMBL5860154 0.86 F2 (0.60) F2PRSS1TPSAB1
SCHEMBL5860097 0.84 F2 (0.58) F2PRSS1TPSAB1
SCHEMBL5862705 0.83 F2 (0.58) F2PRSS1TPSAB1
SCHEMBL7536130 0.83 F2 (0.58) F2PRSS1TPSAB1
SCHEMBL24131608 0.82 F2 (0.59) F2PRSS1TPSAB1
SCHEMBL24115250 0.82 F2 (0.59) F2PRSS1TPSAB1
SCHEMBL24131389 0.82 F2 (0.59) F2PRSS1TPSAB1
SCHEMBL24131464 0.82 F2 (0.59) F2PRSS1TPSAB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors COSTANZO MICHAEL J (US) 2003-01-09 US claimed
US-6469036-B1 PREVENTION AND TREATMENT OF INFLAMMATORY DISEASES ASSOCIATED WITH THE RESPIRATORY TRACT, SUCH AS ASTHMA AND ALLERGIC RHINITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-22 US claimed
US-7132418-B2 Peptidyl heterocyclic ketones useful as tryptase inhibitors ORTHO-MCNEIL PHARMACEUTICAL, INC. (US) 2006-11-07 US disclosed
US-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors COSTANZO MICHAEL J (US) 2003-01-09 US disclosed
US-6469036-B1 PREVENTION AND TREATMENT OF INFLAMMATORY DISEASES ASSOCIATED WITH THE RESPIRATORY TRACT, SUCH AS ASTHMA AND ALLERGIC RHINITIS ORTHO-MCNEIL PHARMACEUTICAL, INC. 2002-10-22 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-20030008829-A1 Peptidyl heterocyclic ketones useful as tryptase inhibitors CMA1, TPSB2, TPSAB1 LMNA 1957/4885TP53 2879/4885ALOX15 381/4885

“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.