SCHEMBL20529249

SCHEMBL20529249

CSc1cc(C=O)ccc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 10/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ TSHR P16473 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ CYP2A6 P11509 4/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ KIF11 P52732 1/20 0.36
▸ HPGD P15428 2/20 0.35
▸ AOX1 Q06278 1/20 0.35
▸ TRIM24 O15164 1/20 0.35
▸ ALDH5A1 P51649 1/20 0.35
▸ ABAT P80404 1/20 0.35
▸ TDP1 Q9NUW8 1/20 0.35
▸ TRIM33 Q9UPN9 1/20 0.35
▸ PTGER4 P35408 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ KMT2A Q03164 1/20 0.35

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
SCHEMBL1576019 0.84 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2TSHRKDM4EPTGS2
SCHEMBL3406735 0.81 ALDH1A1 (0.52) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL3376315 0.78 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2TSHRKDM4EPTGS2
SCHEMBL6436517 0.78 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL19923143 0.76 KDM4E (0.57) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL28550631 0.76 ALDH1A1 (0.47) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL1575198 0.73 ALDH1A1 (0.48) ALDH1A1TSHRKDM4EPTGS2RAB9A
SCHEMBL48607 0.73 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRKDM4EPTGS2
SCHEMBL29389102 0.73 ALDH1A1 (0.52) ALDH1A1SMN1; SMN2TSHRKDM4EPTGS2
SCHEMBL1965979 0.73 ALDH1A1 (0.63) ALDH1A1SMN1; SMN2TSHRKDM4ECYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3606921-B1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2022-06-01 — — EP disclosed
US-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA INVENTIVA (FR) 2020-04-16 — — US disclosed
EP-3606921-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. Inventiva (FR) 2020-02-12 — — EP disclosed
WO-2018185266-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA. INVENTIVA (FR) 2018-10-11 — — 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 (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-20200115353-A1 NEW COMPOUNDS INHIBITORS OF THE YAP/TAZ-TEAD INTERACTION AND THEIR USE IN THE TREATMENT OF MALIGNANT MESOTHELIOMA YAP1, TEAD2, TEAD1 ALDH1A1 3397/4885SMN1; SMN2 3978/4885TSHR 1399/4885

“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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