SCHEMBL20140164

SCHEMBL20140164

CCOC(=O)c1cc(I)nn1COCC[Si](C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
POLB P06746 2/20 0.39
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.37
ALDH1A1 P00352 3/20 0.36
DGAT1 O75907 1/20 0.36
LMNA P02545 2/20 0.34
NPC1 O15118 1/20 0.33
FAAH O00519 1/20 0.33
F2RL1 P55085 1/20 0.32

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
SCHEMBL25414258 0.87 SMN1; SMN2 (0.41) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL25107980 0.86 TDP1 (0.40) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL30871782 0.86 TDP1 (0.45) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL20854943 0.85 TDP1 (0.40) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL31021743 0.85 SMN1; SMN2 (0.41) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL24298797 0.85 TDP1 (0.39) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL17593262 0.85 TDP1 (0.39) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL23843053 0.84 TDP1 (0.41) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL22900763 0.84 SMN1; SMN2 (0.41) TDP1SMN1; SMN2POLBRAB9AL3MBTL1
SCHEMBL17672555 0.84 SMN1; SMN2 (0.38) TDP1SMN1; SMN2POLBRAB9AL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-30 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2023-09-19 US disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
EP-3538525-B1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2022-06-22 EP disclosed
CN-110167935-B 3-substituted propionic acids as alpha V integrin inhibitors 百时美施贵宝公司 2022-05-27 CN disclosed
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2021-09-23 US disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2021-06-24 US disclosed
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2021-04-06 US disclosed
EP-3538525-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS Bristol-Myers Squibb Company (US) 2019-09-18 EP disclosed
US-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2019-08-29 US disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 WO disclosed
WO-2018089353-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2018-05-17 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 (6 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-20190263808-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 TDP1 3638/4885SMN1; SMN2 2930/4885POLB 3839/4885
US-11884661-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV TDP1 4498/4885SMN1; SMN2 2768/4885POLB 3898/4885
US-20210292301-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS KLKB1, KLK5, KLK1 TDP1 2205/4885SMN1; SMN2 4693/4885POLB 3776/4885
US-11760745-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK5, KLK1 TDP1 2205/4885SMN1; SMN2 4693/4885POLB 3776/4885
US-20210188847-A1 3-SUBSTITUTED PROPIONIC ACIDS AS ALPHA V INTEGRIN INHIBITORS ITGAV, ITGB3, ITGB1 TDP1 4479/4885SMN1; SMN2 2976/4885POLB 3714/4885
US-10968219-B2 3-substituted propionic acids as αV integrin inhibitors ITGB3, ITGB1, ITGAV TDP1 3804/4885SMN1; SMN2 2804/4885POLB 3970/4885

“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.