SCHEMBL6400711

SCHEMBL6400711

O=C(O)c1cc(SF)ccc1O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 4/20 0.67
CA1 P00915 2/20 0.55
CA2 P00918 2/20 0.55
PTGS2 P35354 2/20 0.55
CA12 O43570 1/20 0.55
ALOX5 P09917 1/20 0.55
CA7 P43166 1/20 0.55
CA9 Q16790 1/20 0.55
CA14 Q9ULX7 1/20 0.55
KDM4E B2RXH2 3/20 0.52
ALDH1A1 P00352 3/20 0.52
HPGD P15428 3/20 0.52
HSD17B10 Q99714 3/20 0.52
MEN1 O00255 2/20 0.52
KDR P35968 2/20 0.52
KMT2A Q03164 2/20 0.52
CYP2C9 P11712 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
TNF P01375 1/20 0.52
CYP3A4 P08684 1/20 0.52

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
SCHEMBL2949448 0.84 ALDH1A1 (0.55) MCL1CA1CA2PTGS2CA12
SCHEMBL29623237 0.83 MCL1 (0.71) MCL1CA1CA2PTGS2CA12
SCHEMBL341888 0.83 MCL1 (0.71) MCL1CA1CA2PTGS2CA12
SCHEMBL739200 0.83 MCL1 (0.71) MCL1CA1CA2PTGS2CA12
SCHEMBL6715410 0.82 MCL1 (0.69) MCL1CA1CA2PTGS2CA12
SCHEMBL27854523 0.80 MCL1 (0.67) MCL1CA1CA2PTGS2CA12
SCHEMBL11449962 0.80 MCL1 (0.67) MCL1CA1CA2PTGS2CA12
SCHEMBL3187695 0.80 MCL1 (1.00) MCL1CA1CA2PTGS2CA12
SCHEMBL6401695 0.80 MCL1 (0.67) MCL1CA1CA2PTGS2CA12
SCHEMBL9367905 0.79 MCL1 (0.61) MCL1CA1CA2PTGS2CA12

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050119237-A1 Non-malignant disease treatment with Ras antagonists RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH & INDUSTRIAL DEVELOPMENT LTD. (IL) 2005-06-02 US disclosed
EP-1187605-A4 NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS THYREOS CORP (US) 2004-05-26 EP disclosed
US-6462086-B1 SUCH AS FARNESYLTHIOSALICYLIC ACID; INHIBITING PROLIFERATION OF T-CELLS; DIABETES, LUPUS, MULTIPLE SCLEROSIS; GRAFT REJECTION INDUCED BY FOREIGN ANTIGENS; CIRRHOSIS, RESTENOSIS RAMOT UNIVERSITY AUTHORITY FOR APPLIED RESEARCH AND INDUSTRIAL DEVELOPMENT LTD. (IL) 2002-10-08 US disclosed
EP-1187605-A1 NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS Thyreos Corporation (US) 2002-03-20 EP disclosed
WO-2000078303-A1 NON-MALIGNANT DISEASE TREATMENT WITH RAS ANTAGONISTS THYREOS CORPORATION (US) 2000-12-28 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-20050119237-A1 Non-malignant disease treatment with Ras antagonists RSU1, KSR1, KRAS MCL1 140/4885CA1 3526/4885CA2 4378/4885

“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.