SCHEMBL1277402

SCHEMBL1277402

CS(=O)(=O)Nc1cccc(OBOc2cccc(CS(N)(=O)=O)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DRD2 P14416 1/20 0.48
▸ DRD4 P21917 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ NR3C1 P04150 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42
▸ POLB P06746 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ AR P10275 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ CCNT1 O60563 2/20 0.39
▸ CDK2 P24941 2/20 0.39
▸ CDK9 P50750 2/20 0.39
▸ MAP4K4 O95819 1/20 0.39
▸ CDK1 P06493 1/20 0.39
▸ CDK4 P11802 1/20 0.39
▸ CCNB1 P14635 1/20 0.39
▸ CCNA2 P20248 1/20 0.39
▸ CCND1 P24385 1/20 0.39

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
SCHEMBL190004 0.85 SMN1; SMN2 (0.54) DRD2DRD4DRD3NR3C1SMN1; SMN2
SCHEMBL1277198 0.78 HPGD (0.50) DRD3SMN1; SMN2ALDH1A1NPC1AR
SCHEMBL4045170 0.73 CYP19A1 (0.46) SMN1; SMN2ALDH1A1POLBNPC1RAB9A
SCHEMBL3588710 0.72 TAAR1 (0.56) ALDH1A1CA1CA2CA5ACA9
SCHEMBL4204011 0.71 PGR (0.62) DRD2DRD4DRD3NR3C1SMN1; SMN2
SCHEMBL7094939 0.70 AR (0.71) DRD2DRD4DRD3NR3C1SMN1; SMN2
Hydrochloric Acid SCHEMBL20502480 0.70 IDO1 (0.57) ALDH1A1CA1CA2CA5ACA9
SCHEMBL309673 0.70 LMNA (0.60) DRD2DRD4DRD3SMN1; SMN2ALDH1A1
SCHEMBL2284909 0.69 HTR6 (0.64) DRD2DRD4DRD3NR3C1SMN1; SMN2
Hydrochloric Acid SCHEMBL20502482 0.69 LMNA (0.59) DRD2DRD4DRD3SMN1; 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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC (JP) 2012-04-12 — — US disclosed
US-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES AJINOMOTO CO., INC. (JP) 2011-04-07 — — US disclosed
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS COGHLAN MICHAEL JOSEPH 2009-06-11 — — US disclosed
US-7411072-B2 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY (US) 2008-08-12 — — US disclosed
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators ELI LILLY AND COMPANY 2006-03-23 — — US disclosed
EP-1519915-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2005-04-06 — — EP disclosed
WO-2004052847-A2 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS ELI LILLY AND COMPANY (US) 2004-06-24 — — WO 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 (4 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-20110082109-A1 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 DRD2 3591/4885DRD4 3521/4885DRD3 2412/4885
US-20090149445-A1 TRICYCLIC STEROID HORMONE NUCLEAR RECEPTOR MODULATORS NR5A1, NR3C2, NR3C1 DRD2 3236/4885DRD4 3605/4885DRD3 3156/4885
US-20120088737-A2 NOVEL ACYL GUANIDINE DERIVATIVES SLC9A3, NHERF1, SLC9A2 DRD2 3591/4885DRD4 3521/4885DRD3 2412/4885
US-20060063759-A1 Tricyclic steroid hormone nuclear receptor modulators NR5A1, NR3C2, NR3C1 DRD2 3204/4885DRD4 3562/4885DRD3 3056/4885

“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.

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