SCHEMBL1285863

SCHEMBL1285863

CC(C)[C@H](Nc1ccc(C(F)(F)F)cn1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.50
▸ NPC1 O15118 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ MAPT P10636 1/20 0.50
▸ ITGB1 P05556 1/20 0.47
▸ ITGA4 P13612 1/20 0.47
▸ GAA P10253 2/20 0.47
▸ MMP1 P03956 1/20 0.47
▸ MMP2 P08253 1/20 0.47
▸ MMP3 P08254 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP13 P45452 1/20 0.47
▸ POLB P06746 1/20 0.47
▸ PTGS1 P23219 1/20 0.47
▸ ADAMTS4 O75173 1/20 0.47
▸ HCAR3 P49019 2/20 0.44
▸ HTT P42858 1/20 0.44
▸ CDK5 Q00535 1/20 0.44
▸ CDK5R1 Q15078 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
SCHEMBL29882565 1.00 RAB9A (0.50) RAB9ANPC1ALDH1A1MAPTITGB1
SCHEMBL3049728 1.00 RAB9A (0.50) RAB9ANPC1ALDH1A1MAPTITGB1
SCHEMBL3485702 0.81 ITGB1 (0.54) ALDH1A1ITGB1ITGA4ADAMTS4
SCHEMBL13312903 0.78 HCAR3 (0.49) RAB9ANPC1ALDH1A1MAPTITGB1
SCHEMBL11072569 0.77 MMP2 (0.56) RAB9ANPC1ALDH1A1MAPTMMP1
SCHEMBL9442663 0.77 MMP2 (0.56) RAB9ANPC1ALDH1A1MAPTMMP1
SCHEMBL1259765 0.77 MMP2 (0.56) RAB9ANPC1ALDH1A1MAPTMMP1
SCHEMBL4454786 0.76 ITGB1 (0.54) RAB9ANPC1ITGB1ITGA4GAA
Hydrochloric Acid SCHEMBL4455280 0.75 ITGB1 (0.53) RAB9ANPC1ITGB1ITGA4GAA
SCHEMBL9893012 0.75 RAB9A (0.57) RAB9ANPC1ALDH1A1GAAPOLB

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 29 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 — — EP claimed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 — — WO claimed
US-10072043-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2018-09-11 — — US claimed
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES Indiana University Research and Technology Corpora tion (US) 2016-06-23 — — US claimed
US-9217012-B2 Inhibitors of protein tyrosine phosphatases INDIANA UNIVERSITY RESEARCH AND TECHNOLOGY CORPORATION (US) 2015-12-22 — — US claimed
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATI (US) 2012-04-12 — — US claimed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 — — WO claimed
US-12551555-B2 Compositions and methods for potentiating immune activity KUMQUAT BIOSCIENCES INC. (US) 2026-02-17 — — US disclosed
EP-4661890-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS Purdue Research Foundation (US) 2025-12-17 — — EP disclosed
WO-2024167565-A1 PTP1B/TC-PTP DUAL INHIBITORS AND PROTEIN DEGRADERS PURDUE RESEARCH FOUNDATION (US) 2024-08-15 — — WO disclosed
US-20230044323-A1 COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY KUMQUAT BIOSCIENCES INC. 2023-02-09 — — US disclosed
EP-4073242-A1 COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY Kumquat Biosciences Inc. (US) 2022-10-19 — — EP disclosed
CN-115103907-A Compositions and methods for enhancing immune activity 金橘生物科技公司 2022-09-23 — — CN disclosed
WO-2010118241-A2 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES INDIANA UNIVERSITY RESEARCH & TECHNOLOGY CORPORATION (US) 2010-10-14 — — WO disclosed
US-7772180-B2 Hepatitis C virus inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2010-08-10 — — US disclosed
EP-2086963-A2 HEPATITIS C VIRUS INHIBITORS Brystol-Myers Squibb Company (US) 2009-08-12 — — EP disclosed
WO-2008060927-A2 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2008-05-22 — — WO disclosed
US-20080119461-A1 Hepatitis C Virus Inhibitors BRISTOL-MYERS SQUIBB COMPANY 2008-05-22 — — US disclosed
US-20070082931-A1 Indole derivatives AKZO NOBLE N.V. (NL) 2007-04-12 — — US disclosed
US-20070072096-A1 Negative curable dye-containing composition, color filter, and method of manufacturing the same FUJI PHOTO FILM CO., LTD. 2007-03-29 — — 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 (7 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-20070082931-A1 Indole derivatives IDO1, TPH1, IDO2 RAB9A 3087/4885NPC1 3021/4885ALDH1A1 198/4885
US-20080119461-A1 Hepatitis C Virus Inhibitors HAVCR2, HCCS, PYGL RAB9A 1854/4885NPC1 167/4885ALDH1A1 623/4885
US-10072043-B2 Inhibitors of protein tyrosine phosphatases PTPRCAP, PTPRF, PTPRS RAB9A 2114/4885NPC1 3543/4885ALDH1A1 3087/4885
US-12551555-B2 Compositions and methods for potentiating immune activity PTPRCAP, PTPN2, PTPRC RAB9A 2553/4885NPC1 2688/4885ALDH1A1 4675/4885
US-20160176922-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS RAB9A 2114/4885NPC1 3543/4885ALDH1A1 3087/4885
US-20230044323-A1 COMPOSITIONS AND METHODS FOR POTENTIATING IMMUNE ACTIVITY NFATC1, MYD88, ICOS RAB9A 1664/4885NPC1 2315/4885ALDH1A1 4200/4885
US-20120088720-A1 INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES PTPRCAP, PTPRF, PTPRS RAB9A 2114/4885NPC1 3543/4885ALDH1A1 3087/4885

“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.

Send feedback