SCHEMBL17825552

SCHEMBL17825552

CC(C)[C@@H](C)CC[C@@H](C)[C@H]1CC[C@H]2C3(O)CCC4CCCC[C@]4(C)[C@H]3CC[C@]12C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTPN1 P18031 1/20 0.45
▸ GPBAR1 Q8TDU6 5/20 0.43
▸ EPHA2 P29317 2/20 0.43
▸ AKR1B10 O60218 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43
▸ EFNA1 P20827 1/20 0.43
▸ PSEN1 P49768 1/20 0.43
▸ PSEN2 P49810 1/20 0.43
▸ APH1B Q8WW43 1/20 0.43
▸ NCSTN Q92542 1/20 0.43
▸ APH1A Q96BI3 1/20 0.43
▸ PSENEN Q9NZ42 1/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ LMNA P02545 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ TDP1 Q9NUW8 1/20 0.43
▸ INPP5D Q92835 1/20 0.42
▸ USP2 O75604 1/20 0.42
▸ CDC25A P30304 8/20 0.42

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
SCHEMBL5406429 0.87 INPP5D (0.47) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL3225451 0.86 CDC25A (0.41) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL16226138 0.85 USP2 (0.59) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL15536784 0.84 VDR (0.48) INPP5DCDC25ACDC25B
SCHEMBL6706039 0.84 CDC25A (0.49) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL15536787 0.84 VDR (0.48) INPP5DCDC25ACDC25B
SCHEMBL3225968 0.80 PTPN1 (0.46) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL25711251 0.75 USP2 (0.56) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL7623866 0.75 GPBAR1 (0.70) PTPN1GPBAR1EPHA2AKR1B10AKR1B1
SCHEMBL14677573 0.75 GPBAR1 (0.70) PTPN1GPBAR1EPHA2AKR1B10AKR1B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3230259-B1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS UNIV NEW YORK STATE RES FOUND (US) 2024-04-03 — — EP disclosed
US-11390580-B2 Anti-fungals targeting the synthesis of fungal shingolipids THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2022-07-19 — — US disclosed
US-20200062698-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2020-02-27 — — US disclosed
US-20180141897-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2018-05-24 — — US disclosed
EP-3230259-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS The Research Foundation for The State University of New York (US) 2017-10-18 — — EP disclosed
WO-2016094307-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS THE RESEARCH FOUNDATION FOR THE STATE UNIVERSITY OF NEW YORK (US) 2016-06-16 — — 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 (3 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-11390580-B2 Anti-fungals targeting the synthesis of fungal shingolipids LSS, ERG28, CYP51A1 PTPN1 3073/4885GPBAR1 4216/4885EPHA2 2449/4885
US-20180141897-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS LSS, ERG28, CYP51A1 PTPN1 3073/4885GPBAR1 4216/4885EPHA2 2449/4885
US-20200062698-A1 ANTI-FUNGALS TARGETING THE SYNTHESIS OF FUNGAL SHINGOLIPIDS LSS, ERG28, CYP51A1 PTPN1 3073/4885GPBAR1 4216/4885EPHA2 2449/4885

“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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