SCHEMBL2627707

SCHEMBL2627707

COP(=O)(O)OCCC(C)=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BTN3A1 O00481 2/20 0.46
▸ ALDH1A1 P00352 2/20 0.38
▸ PLA2G2A P14555 4/20 0.37
▸ MVD P53602 2/20 0.33
▸ LMNA P02545 1/20 0.32
▸ SLC15A2 Q16348 1/20 0.32
▸ MGAM O43451 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ SI P14410 1/20 0.31
▸ MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL18258054 0.84 PLA2G2A (0.43) BTN3A1ALDH1A1PLA2G2A
SCHEMBL15259067 0.83 ALDH1A1 (0.43) BTN3A1ALDH1A1PLA2G2AMVDLMNA
SCHEMBL11595897 0.81 TSHR (0.48) BTN3A1ALDH1A1PLA2G2ALMNAMGAM
SCHEMBL11908881 0.80 ALDH1A1 (0.39) BTN3A1ALDH1A1LMNASLC15A2MGAM
SCHEMBL1198793 0.79 LPAR3 (0.46) BTN3A1ALDH1A1LMNASLC15A2
SCHEMBL15257420 0.78 BTN3A1 (0.42) BTN3A1ALDH1A1MVD
SCHEMBL17482402 0.77 PLA2G2A (0.39) BTN3A1PLA2G2AMVDMGAMGAA
SCHEMBL19699811 0.77 LPAR3 (0.43) BTN3A1PLA2G2A
SCHEMBL6352756 0.77 BTN3A1 (0.38) BTN3A1ALDH1A1PLA2G2AMVD
SCHEMBL19605920 0.76 BTN3A1 (0.41) BTN3A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230265121-A9 CONJUGATED NEUROACTIVE STEROID COMPOSITIONS AND METHODS OF USE DUKE UNIVERSITY 2023-08-24 — — US disclosed
US-8541600-B2 11-aza, 11-thia and 11-oxa sterol compounds and compositions Harbor Therapeutics, Inc. (US) 2013-09-24 — — US disclosed
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS BIOVIE INC. 2012-04-26 — — US disclosed
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions BIOVIE INC. 2012-02-16 — — US disclosed
US-8022234-B2 Compounds and compositions HARBOR BIOSCIENCES, INC. (US) 2011-09-20 — — US disclosed
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS FRINCKE JAMES M 2011-09-08 — — US disclosed
US-20110009372-A1 Compounds and compositions BIOVIE INC. 2011-01-13 — — 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 (5 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-20110009372-A1 Compounds and compositions HSD3B1, CYP17A1, HSD17B1 BTN3A1 1242/4885ALDH1A1 2511/4885PLA2G2A 3834/4885
US-20230265121-A9 CONJUGATED NEUROACTIVE STEROID COMPOSITIONS AND METHODS OF USE SHBG, TACR2, GAP43 BTN3A1 622/4885ALDH1A1 610/4885PLA2G2A 468/4885
US-20120101052-A9 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 BTN3A1 3226/4885ALDH1A1 1204/4885PLA2G2A 415/4885
US-20120041016-A1 11-Aza, 11-Thia and 11-Oxa Sterol Compounds and Compositions CYP51A1, HSD11B1, HSD3B1 BTN3A1 601/4885ALDH1A1 1545/4885PLA2G2A 2515/4885
US-20110218162-A1 15-THIA STEROID COMPOUNDS AND COMPOSITIONS MPL, THPO, ALOX15 BTN3A1 3226/4885ALDH1A1 1204/4885PLA2G2A 415/4885

“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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