SCHEMBL19462840

SCHEMBL19462840

Cc1ccc(C(C)(O)c2nc3ccccc3s2)c(C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CASR P41180 13/20 1.00
▸ NPC1 O15118 3/20 0.48
▸ RAB9A P51151 3/20 0.48
▸ SMN1; SMN2 Q16637 3/20 0.48
▸ LMNA P02545 1/20 0.48
▸ NFKB1 P19838 1/20 0.48
▸ NFKB2 Q00653 1/20 0.48
▸ RELA Q04206 1/20 0.48
▸ MEN1 O00255 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ ALDH1A1 P00352 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ MAPT P10636 3/20 0.40
▸ POLB P06746 1/20 0.40
▸ RXFP1 Q9HBX9 1/20 0.39
▸ SCD O00767 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
SCHEMBL29468186 1.00 CASR (1.00) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL28299855 0.79 CASR (0.68) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL7544923 0.74 CASR (0.64) CASRLMNAALDH1A1HPGD
SCHEMBL18546040 0.72 CASR (0.53) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL227210 0.70 CASR (0.58) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL108180 0.70 CASR (0.58) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL30731326 0.70 RAB9A (0.54) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL27286220 0.69 CASR (0.57) CASRNPC1RAB9ASMN1; SMN2MEN1
SCHEMBL30731332 0.69 CASR (0.57) CASRNPC1RAB9ASMN1; SMN2LMNA
SCHEMBL29226448 0.69 CASR (0.71) CASRNPC1RAB9ASMN1; SMN2NFKB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11730769-B2 Compositions and methods for Williams Syndrome (WS) therapy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-08-22 — — US disclosed
US-11730769-B2 Compositions and methods for Williams Syndrome (WS) therapy CHILDREN'S MEDICAL CENTER CORPORATION (US) 2023-08-22 — — US disclosed
US-20200316132-A1 COMPOSITIONS AND METHODS FOR WILLIAMS SYNDROME (WS) THERAPY MASSACHUSETTS INSTITUTE OF TECHNOLOGY (US) 2020-10-08 — — US disclosed
US-20190274334-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-09-12 — — US disclosed
US-20190274334-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2019-09-12 — — US disclosed
EP-3442352-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME Mars, Incorporated (US) 2019-02-20 — — EP disclosed
WO-2017181062-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2017-10-19 — — WO disclosed
WO-2017181062-A1 COMPOUNDS THAT MODULATE CALCIUM-SENSING RECEPTOR ACTIVITY FOR MODULATING KOKUMI TASTE AND PET FOOD PRODUCTS CONTAINING THE SAME MARS, INCORPORATED (US) 2017-10-19 — — 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 (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-11730769-B2 Compositions and methods for Williams Syndrome (WS) therapy MAG, PMP22, WDR77 CASR 3981/4885NPC1 633/4885RAB9A 2005/4885
US-20200316132-A1 COMPOSITIONS AND METHODS FOR WILLIAMS SYNDROME (WS) THERAPY MAG, PMP22, WDR77 CASR 3981/4885NPC1 633/4885RAB9A 2005/4885

“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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