SCHEMBL10015690

SCHEMBL10015690

O=C(O)CCC(=O)N1CCN(c2ccc(F)cc2)CC1

nearest known ligand 0.88

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.86
▸ HPGD P15428 1/20 0.86
▸ HSD17B10 Q99714 1/20 0.86
▸ GFER P55789 1/20 0.70
▸ POLB P06746 3/20 0.66
▸ NPC1 O15118 2/20 0.64
▸ RAB9A P51151 2/20 0.64
▸ MAPT P10636 2/20 0.64
▸ L3MBTL1 Q9Y468 1/20 0.62
▸ FOLH1 Q04609 1/20 0.61
▸ ME2 P23368 1/20 0.59
▸ ME1 P48163 1/20 0.59
▸ ME3 Q16798 1/20 0.59
▸ SMN1; SMN2 Q16637 1/20 0.59
▸ MEN1 O00255 1/20 0.58
▸ KMT2A Q03164 1/20 0.58
▸ LMNA P02545 1/20 0.58

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
SCHEMBL28918980 0.86 POLB (0.68) ALDH1A1HPGDHSD17B10GFERPOLB
SCHEMBL27786793 0.85 MAPT (0.78) ALDH1A1HPGDHSD17B10NPC1RAB9A
SCHEMBL17859454 0.84 ALDH1A1 (0.64) ALDH1A1HPGDHSD17B10GFERMAPT
SCHEMBL21084409 0.84 CNR1 (0.68) ALDH1A1HPGDHSD17B10GFERPOLB
SCHEMBL3799766 0.82 GFER (1.00) ALDH1A1HPGDHSD17B10GFERPOLB
SCHEMBL15840475 0.82 POLB (0.67) ALDH1A1HPGDHSD17B10GFERPOLB
SCHEMBL3090713 0.81 POLB (0.77) ALDH1A1HPGDHSD17B10GFERPOLB
SCHEMBL7368202 0.81 ITGB3 (0.67) ALDH1A1HPGDHSD17B10MAPTSMN1; SMN2
SCHEMBL2878977 0.81 POLB (0.69) ALDH1A1HPGDHSD17B10GFERPOLB
SCHEMBL14489710 0.81 POLB (0.69) ALDH1A1HPGDHSD17B10GFERPOLB

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
US-8623906-B2 Carboxy isatin hydrazones and their esters as Shp2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 — — US disclosed
US-8623906-B2 Carboxy isatin hydrazones and their esters as Shp2 inhibitors H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2014-01-07 — — US disclosed
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-09 — — US disclosed
US-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY OF SOUTH FLORIDA (US) 2012-02-09 — — US 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-20120034186-A1 INDOLINE SCAFFOLD SHP-2 INHIBITORS AND METHOD OF TREATING CANCER PTPN1, PTPN2, PTPN7 ALDH1A1 3494/4885HPGD 2312/4885HSD17B10 1769/4885

“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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