SCHEMBL6609140

SCHEMBL6609140

COC(=O)NCc1ccc(B(O)O)cc1

nearest known ligand 0.75

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.56
TRPV1 Q8NER1 7/20 0.53
SMN1; SMN2 Q16637 2/20 0.49
LPL P06858 2/20 0.47
LIPG Q9Y5X9 2/20 0.47
ALDH1A1 P00352 1/20 0.44

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
SCHEMBL7252186 0.87 TSHR (0.69) TSHRSMN1; SMN2ALDH1A1
SCHEMBL19487141 0.85 TSHR (0.57) TSHRTRPV1SMN1; SMN2LPLLIPG
SCHEMBL433769 0.83 TRPV1 (0.53) TRPV1
SCHEMBL101621 0.81 KMT2A (0.59) TRPV1LPLLIPGALDH1A1
SCHEMBL3598006 0.79 TSHR (0.61) TSHRTRPV1SMN1; SMN2ALDH1A1
SCHEMBL3598004 0.79 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1
SCHEMBL1694501 0.79 TRPV1 (0.61) TSHRTRPV1SMN1; SMN2LPLLIPG
SCHEMBL10117993 0.79 TSHR (0.61) TSHRSMN1; SMN2ALDH1A1
SCHEMBL3006709 0.78 TSHR (0.59) TSHRSMN1; SMN2ALDH1A1
SCHEMBL2721206 0.78 ALDH1A1 (0.65) TSHRSMN1; 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2017-10-19 US disclosed
US-9732103-B2 Carbamate, ester, and ketone compounds for treatment of complement mediated disorders ACHILLION PHARMACEUTICALS, INC. (US) 2017-08-15 US disclosed
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders ACHILLION PHARMACEUTICALS, INC. (US) 2015-08-27 US disclosed
EP-1140895-B1 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO (JP) 2004-03-24 EP disclosed
EP-1140895-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-10-10 EP disclosed
WO-2000040576-A2 THIOPYRAN COMPOUNDS AS INHIBITORS OF MMP FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-07-13 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-20170298085-A1 CARBAMATE, ESTER, AND KETONE COMPOUNDS FOR TREATMENT OF COMPLEMENT MEDIATED DISORDERS CFD, C9, CFH TSHR 1723/4885TRPV1 3621/4885SMN1; SMN2 2371/4885
US-20150239919-A1 Carbamate, Ester, and Ketone Compounds for Treatment of Complement Mediated Disorders CFD, C9, CFH TSHR 1723/4885TRPV1 3621/4885SMN1; SMN2 2371/4885

“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.