Sugi Predict

Sugi Predict / Compounds / SCHEMBL84043

SCHEMBL84043

SCHEMBL84043

CC(C)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE2A O00408 3/20 0.53
▸ PTPN5 P54829 1/20 0.50
▸ CYP2D6 P10635 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ KIF11 P52732 5/20 0.46
▸ CES2 O00748 2/20 0.45
▸ CES1 P23141 2/20 0.45
▸ ALDH1A1 P00352 2/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ACP3 P15309 1/20 0.42
▸ AKR1C3 P42330 1/20 0.41
▸ AKR1C2 P52895 1/20 0.41
▸ ORAI1 Q96D31 1/20 0.41
▸ ORAI2 Q96SN7 1/20 0.41
▸ ORAI3 Q9BRQ5 1/20 0.41
▸ TRPV6 Q9H1D0 1/20 0.41
▸ TYR P14679 1/20 0.41

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
Ammonia Solution, Strong SCHEMBL27642816 0.97 PDE2A (0.52) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL14087362 0.93 PTPN5 (0.59) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL20313756 0.91 PDE2A (0.47) PDE2APTPN5CYP2D6CYP2C9HIF1A
Ethylamine SCHEMBL27563059 0.89 PDE2A (0.50) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL5540984 0.89 PDE2A (0.46) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL24685660 0.87 SRD5A2 (0.46) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL22875946 0.87 PDE2A (0.44) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL2866711 0.87 PDE2A (0.44) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL2763430 0.85 PDE2A (0.47) PDE2APTPN5CYP2D6CYP2C9HIF1A
SCHEMBL9318999 0.84 SRD5A2 (0.61) PTPN5CYP2D6CYP2C9HIF1ACES2

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 1488 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4436941-A Process for the isomerization of alkylbenzotrifluorides BAYER AKTIENGESELLSCHAFT (DE) 1984-03-13 — — US claimed
US-12415835-B2 Peptide-compound cyclization method CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2025-09-16 — — US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-12043607-B2 HDAC inhibitors and therapeutic use thereof TANGO THERAPEUTICS, INC. (US) 2024-07-23 — — US disclosed
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2024-07-18 — — US disclosed
US-12037329-B2 SphK inhibitors and methods of making and using same WASHINGTON UNIVERSITY (US) 2024-07-16 — — US disclosed
US-12037329-B2 SphK inhibitors and methods of making and using same WASHINGTON UNIVERSITY (US) 2024-07-16 — — US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof Ikena Oncology, Inc. (US) 2024-07-09 — — US disclosed
WO-2024137968-A1 ANDROGEN RECEPTOR MODULATORS AND METHODS FOR THEIR USE CAPULUS THERAPEUTICS, LLC (US) 2024-06-27 — — WO disclosed
EP-1489064-A1 Preparation of fluorinated acetophenones Bayer Chemicals AG (DE) 2004-12-22 — — EP disclosed
WO-2004058679-A2 LIGANDS OF ADENINE NUCLEOTIDE TRANSLOCASE (ANT) AND COMPOSITIONS AND METHODS RELATED THERETO MIGENIX CORP. (US) 2004-07-15 — — WO disclosed
US-5877191-A ANTIINFLAMMATORY AGENT; ANALGESICS; ANTIHISTAMINES; EMESIS MERCK & CO., INC. (US) 1999-03-02 — — US disclosed
WO-1998017660-A1 PHENYL SPIROETHERCYCLOALKYL TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 1998-04-30 — — WO disclosed
US-4749813-A 4-alkyl-2-trifluoromethylanilines BAYER AKTIENGESELLSCHAFT (DE) 1988-06-07 — — US disclosed
EP-0084128-B1 PROCESS FOR THE PREPARATION OF ALKYLBENZENES SUBSTITUTED BY RADICALS CONTAINING FLUORINE BAYER AG (DE) 1987-01-21 — — EP disclosed
EP-0084648-B1 PROCESS FOR THE ISOMERIZATION OF ALKYLBENZOTRIFLUORIDES BAYER AG (DE) 1984-11-07 — — EP disclosed
US-4436941-A Process for the isomerization of alkylbenzotrifluorides BAYER AKTIENGESELLSCHAFT (DE) 1984-03-13 — — US disclosed
EP-0084648-A1 Process for the isomerization of alkylbenzotrifluorides BAYER AG (DE) 1983-08-03 — — EP disclosed
EP-0084128-A1 Process for the preparation of alkylbenzenes substituted by radicals containing fluorine BAYER AG (DE) 1983-07-27 — — EP 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-12037329-B2 SphK inhibitors and methods of making and using same SPHK2, SPHK1, CLK2 PDE2A 467/4885PTPN5 2313/4885CYP2D6 4404/4885
US-12030876-B2 Aryl hydrocarbon receptor (AHR) agonists and uses thereof AHR, ARNT, HCAR1 PDE2A 2365/4885PTPN5 1711/4885CYP2D6 188/4885
US-20240239776-A1 AZASPIROCYCLES AS MONOACYLGLYCEROL LIPASE MODULATORS MGLL, LPL, LPAR1 PDE2A 574/4885PTPN5 2714/4885CYP2D6 375/4885
US-12043607-B2 HDAC inhibitors and therapeutic use thereof HDAC1, HDAC7, HDAC5 PDE2A 1463/4885PTPN5 3935/4885CYP2D6 3745/4885
US-12415835-B2 Peptide-compound cyclization method VIP, NGLY1, GLP1R PDE2A 2675/4885PTPN5 3831/4885CYP2D6 4715/4885

“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.